methane;1-propan-2-yl-2,3-dihydropyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-2H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;tris(5-propan-2-yl-2H-pyrrole);4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;1-propan-2-yltriazole;4-propan-2-yl-2H-triazole

C115H178N24O2S4 — CID 167657132

IUPACmethane;1-propan-2-yl-2,3-dihydropyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-2H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;tris(5-propan-2-yl-2H-pyrrole);4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;1-propan-2-yltriazole;4-propan-2-yl-2H-triazole
SMILESC.CC(C)C1=CC=NC1.CC(C)C1=CCN=C1.CC(C)C1=NCC=C1.CC(C)C1=NCC=C1.CC(C)C1=NCC=C1.CC(C)C1C=CC=N1.CC(C)N1C=CCC1.CC(C)c1cc[nH]c1.CC(C)c1ccnc2ncsc12.CC(C)c1ccnc2scnc12.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1cn[nH]c1.CC(C)c1cn[nH]n1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)n1ccnn1
InChIInChI=1S/2C9H10N2S.3C7H11N.C7H13N.4C7H11N.C6H10N2.2C6H9NO.2C6H9NS.2C5H9N3.CH4/c1-6(2)7-3-4-10-9-8(7)12-5-11-9;1-6(2)7-3-4-10-9-8(7)11-5-12-9;3*1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;4*1-6(2)7-4-3-5-8-7;2*1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)8-4-3-6-7-8;1-4(2)5-3-6-8-7-5;/h2*3-6H,1-2H3;3,5-6H,4H2,1-2H3;3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;3,5,7H,4,6H2,1-2H3;3*3-4,6H,5H2,1-2H3;3-7H,1-2H3;3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);1H4
InChIKeyRKOGPPFFYWOPGC-UHFFFAOYSA-N
MW2057.12 g/mol
LogP31.38
Rot. Bonds17

About methane;1-propan-2-yl-2,3-dihydropyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-2H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;tris(5-propan-2-yl-2H-pyrrole);4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;1-propan-2-yltriazole;4-propan-2-yl-2H-triazole

methane;1-propan-2-yl-2,3-dihydropyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-2H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;tris(5-propan-2-yl-2H-pyrrole);4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;1-propan-2-yltriazole;4-propan-2-yl-2H-triazole (PubChem CID 167657132) has the molecular formula C115H178N24O2S4 and a molecular weight of 2057.12 g/mol. Its IUPAC name is methane;1-propan-2-yl-2,3-dihydropyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-2H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;tris(5-propan-2-yl-2H-pyrrole);4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;1-propan-2-yltriazole;4-propan-2-yl-2H-triazole.

Molecular Properties

Compound Namemethane;1-propan-2-yl-2,3-dihydropyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-2H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;tris(5-propan-2-yl-2H-pyrrole);4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;1-propan-2-yltriazole;4-propan-2-yl-2H-triazole
PubChem CID167657132
Molecular FormulaC115H178N24O2S4
Molecular Weight2057.12 g/mol
Exact Mass2055.34
IUPAC Namemethane;1-propan-2-yl-2,3-dihydropyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-2H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;tris(5-propan-2-yl-2H-pyrrole);4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;1-propan-2-yltriazole;4-propan-2-yl-2H-triazole
SMILESC.CC(C)C1=CC=NC1.CC(C)C1=CCN=C1.CC(C)C1=NCC=C1.CC(C)C1=NCC=C1.CC(C)C1=NCC=C1.CC(C)C1C=CC=N1.CC(C)N1C=CCC1.CC(C)c1cc[nH]c1.CC(C)c1ccnc2ncsc12.CC(C)c1ccnc2scnc12.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1cn[nH]c1.CC(C)c1cn[nH]n1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)n1ccnn1
InChIInChI=1S/2C9H10N2S.3C7H11N.C7H13N.4C7H11N.C6H10N2.2C6H9NO.2C6H9NS.2C5H9N3.CH4/c1-6(2)7-3-4-10-9-8(7)12-5-11-9;1-6(2)7-3-4-10-9-8(7)11-5-12-9;3*1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;4*1-6(2)7-4-3-5-8-7;2*1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)8-4-3-6-7-8;1-4(2)5-3-6-8-7-5;/h2*3-6H,1-2H3;3,5-6H,4H2,1-2H3;3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;3,5,7H,4,6H2,1-2H3;3*3-4,6H,5H2,1-2H3;3-7H,1-2H3;3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);1H4
InChIKeyRKOGPPFFYWOPGC-UHFFFAOYSA-N
XLogP31.38
TPSA323.55 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms145
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002057.12
LogP ≤ 531.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze methane;1-propan-2-yl-2,3-dihydropyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-2H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;tris(5-propan-2-yl-2H-pyrrole);4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;1-propan-2-yltriazole;4-propan-2-yl-2H-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;1-propan-2-yl-2,3-dihydropyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-2H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;tris(5-propan-2-yl-2H-pyrrole);4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;1-propan-2-yltriazole;4-propan-2-yl-2H-triazole?
The IUPAC name of methane;1-propan-2-yl-2,3-dihydropyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-2H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;tris(5-propan-2-yl-2H-pyrrole);4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;1-propan-2-yltriazole;4-propan-2-yl-2H-triazole (CID 167657132) is methane;1-propan-2-yl-2,3-dihydropyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-2H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;tris(5-propan-2-yl-2H-pyrrole);4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;1-propan-2-yltriazole;4-propan-2-yl-2H-triazole.
What is the SMILES notation for methane;1-propan-2-yl-2,3-dihydropyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-2H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;tris(5-propan-2-yl-2H-pyrrole);4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;1-propan-2-yltriazole;4-propan-2-yl-2H-triazole?
The canonical SMILES for methane;1-propan-2-yl-2,3-dihydropyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-2H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;tris(5-propan-2-yl-2H-pyrrole);4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;1-propan-2-yltriazole;4-propan-2-yl-2H-triazole is C.CC(C)C1=CC=NC1.CC(C)C1=CCN=C1.CC(C)C1=NCC=C1.CC(C)C1=NCC=C1.CC(C)C1=NCC=C1.CC(C)C1C=CC=N1.CC(C)N1C=CCC1.CC(C)c1cc[nH]c1.CC(C)c1ccnc2ncsc12.CC(C)c1ccnc2scnc12.CC(C)c1ccno1.CC(C)c1ccns1.CC(C)c1cn[nH]c1.CC(C)c1cn[nH]n1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)n1ccnn1.
What is the InChIKey of methane;1-propan-2-yl-2,3-dihydropyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-2H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;tris(5-propan-2-yl-2H-pyrrole);4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;1-propan-2-yltriazole;4-propan-2-yl-2H-triazole?
The InChIKey is RKOGPPFFYWOPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10N2S.3C7H11N.C7H13N.4C7H11N.C6H10N2.2C6H9NO.2C6H9NS.2C5H9N3.CH4/c1-6(2)7-3-4-10-9-8(7)12-5-11-9;1-6(2)7-3-4-10-9-8(7)11-5-12-9;3*1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;4*1-6(2)7-4-3-5-8-7;2*1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)8-4-3-6-7-8;1-4(2)5-3-6-8-7-5;/h2*3-6H,1-2H3;3,5-6H,4H2,1-2H3;3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;3,5,7H,4,6H2,1-2H3;3*3-4,6H,5H2,1-2H3;3-7H,1-2H3;3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);1H4.
What are the key properties of methane;1-propan-2-yl-2,3-dihydropyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-2H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;tris(5-propan-2-yl-2H-pyrrole);4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;1-propan-2-yltriazole;4-propan-2-yl-2H-triazole?
methane;1-propan-2-yl-2,3-dihydropyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-2H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;tris(5-propan-2-yl-2H-pyrrole);4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;1-propan-2-yltriazole;4-propan-2-yl-2H-triazole has a molecular weight of 2057.12 g/mol, XLogP of 31.38, 17 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-propan-2-yl-2,3-dihydropyrrole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-2H-pyrrole;3-propan-2-yl-1H-pyrrole;3-propan-2-yl-2H-pyrrole;4-propan-2-yl-2H-pyrrole;tris(5-propan-2-yl-2H-pyrrole);4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;7-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;1-propan-2-yltriazole;4-propan-2-yl-2H-triazole is sourced from PubChem (CID 167657132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).