2-propan-2-ylfuran;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene

C43H62N6OS2 — CID 157492210

IUPAC2-propan-2-ylfuran;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
SMILESCC(C)c1cccc(N)n1.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1ccsc1.CC(C)c1cncs1.CC(C)c1ncccn1
InChIInChI=1S/C8H12N2.C8H11N.C7H10N2.C7H10O.C7H10S.C6H9NS/c1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-4-8-6/h3-6H,1-2H3,(H2,9,10);3-7H,1-2H3;3-6H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3
InChIKeyBXKKJSRCQJUQAO-UHFFFAOYSA-N
MW743.14 g/mol
LogP13.13
Rot. Bonds6

About 2-propan-2-ylfuran;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene

2-propan-2-ylfuran;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene (PubChem CID 157492210) has the molecular formula C43H62N6OS2 and a molecular weight of 743.14 g/mol. Its IUPAC name is 2-propan-2-ylfuran;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene.

Molecular Properties

Compound Name2-propan-2-ylfuran;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
PubChem CID157492210
Molecular FormulaC43H62N6OS2
Molecular Weight743.14 g/mol
Exact Mass742.44
IUPAC Name2-propan-2-ylfuran;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
SMILESCC(C)c1cccc(N)n1.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1ccsc1.CC(C)c1cncs1.CC(C)c1ncccn1
InChIInChI=1S/C8H12N2.C8H11N.C7H10N2.C7H10O.C7H10S.C6H9NS/c1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-4-8-6/h3-6H,1-2H3,(H2,9,10);3-7H,1-2H3;3-6H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3
InChIKeyBXKKJSRCQJUQAO-UHFFFAOYSA-N
XLogP13.13
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.14
LogP ≤ 513.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-propan-2-ylfuran;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[4-(Furan-3-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 127045589
4-[2-[4-(Furan-2-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 127045590
2-fluoro-N-(furan-2-ylsulfanyl)-5-[5-(2-methylpyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]aniline
CID 88926878
2-(furan-3-yl)-6-methyl-N-[3-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]thieno[2,3-d]pyrimidin-4-amine
CID 172120672
N-[3-[4-[6-(fluoromethyl)-3-pyridinyl]phenyl]propyl]-2-(furan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 172120989
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 4855106
9-(2-Furyl)-7-phenylpyrimidino[4',5'-5,4]thiopheno[2,3-b]pyridine-4-ylamine
CID 631317
N-(furan-2-ylmethyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine
CID 3649040
5-[2-(Dimethylamino)-4-pyridinyl]-4-(furan-2-yl)-6-thiophen-2-ylpyrimidin-2-amine
CID 23020416
5-[2-(Dimethylamino)-4-pyridinyl]-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine
CID 23020435
5-[2-(Furan-2-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 58416133
6-(furan-2-yl)-N-(2-pyridin-3-ylethyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
CID 59683109

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylfuran;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene?
The IUPAC name of 2-propan-2-ylfuran;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene (CID 157492210) is 2-propan-2-ylfuran;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene.
What is the SMILES notation for 2-propan-2-ylfuran;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene?
The canonical SMILES for 2-propan-2-ylfuran;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene is CC(C)c1cccc(N)n1.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1ccsc1.CC(C)c1cncs1.CC(C)c1ncccn1.
What is the InChIKey of 2-propan-2-ylfuran;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene?
The InChIKey is BXKKJSRCQJUQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C8H11N.C7H10N2.C7H10O.C7H10S.C6H9NS/c1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-4-8-6/h3-6H,1-2H3,(H2,9,10);3-7H,1-2H3;3-6H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 2-propan-2-ylfuran;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene?
2-propan-2-ylfuran;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene has a molecular weight of 743.14 g/mol, XLogP of 13.13, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylfuran;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene is sourced from PubChem (CID 157492210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).