1-methyl-3-propan-2-ylpyrazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole

C47H71N7OS — CID 162117240

IUPAC1-methyl-3-propan-2-ylpyrazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cccc(N2CCCCC2)n1.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)c1ccnc(C2CCOCC2)c1.CC(C)c1nccs1
InChIInChI=1S/C13H20N2.C13H19NO.C8H11N.C7H12N2.C6H9NS/c1-11(2)12-7-6-8-13(14-12)15-9-4-3-5-10-15;1-10(2)12-3-6-14-13(9-12)11-4-7-15-8-5-11;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-5(2)6-7-3-4-8-6/h6-8,11H,3-5,9-10H2,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;3-7H,1-2H3;4-6H,1-3H3;3-5H,1-2H3
InChIKeyZGXUXVLLXFASQN-UHFFFAOYSA-N
MW782.20 g/mol
LogP12.31
Rot. Bonds7

About 1-methyl-3-propan-2-ylpyrazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole

1-methyl-3-propan-2-ylpyrazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole (PubChem CID 162117240) has the molecular formula C47H71N7OS and a molecular weight of 782.20 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylpyrazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylpyrazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole
PubChem CID162117240
Molecular FormulaC47H71N7OS
Molecular Weight782.20 g/mol
Exact Mass781.54
IUPAC Name1-methyl-3-propan-2-ylpyrazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cccc(N2CCCCC2)n1.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)c1ccnc(C2CCOCC2)c1.CC(C)c1nccs1
InChIInChI=1S/C13H20N2.C13H19NO.C8H11N.C7H12N2.C6H9NS/c1-11(2)12-7-6-8-13(14-12)15-9-4-3-5-10-15;1-10(2)12-3-6-14-13(9-12)11-4-7-15-8-5-11;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-5(2)6-7-3-4-8-6/h6-8,11H,3-5,9-10H2,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;3-7H,1-2H3;4-6H,1-3H3;3-5H,1-2H3
InChIKeyZGXUXVLLXFASQN-UHFFFAOYSA-N
XLogP12.31
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.20
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-methyl-3-propan-2-ylpyrazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

ethane;4-(6-propan-2-yl-2-pyridinyl)morpholine
CID 177361862
N-methylmethanamine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
CID 164926851
1-methylpiperidine;2-propan-2-ylpyridine
CID 156652028
2-(oxan-2-yl)-4-propan-2-ylpyridine
CID 166028714
2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane
CID 159523313
2-(3-fluoropyrrolidin-1-yl)-6-propan-2-ylpyridine
CID 129154786
4-(oxan-4-yl)-2-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrimidin-6-one
CID 167759567
2-(oxan-4-yl)-N-(1-pyridin-2-ylethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 110215002
2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 97131130
bis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;bis(4-[4,6-di(propan-2-yl)-2-pyridinyl]morpholine);4,6-di(propan-2-yl)pyrimidine;4-[4,6-di(propan-2-yl)pyrimidin-2-yl]morpholine
CID 159075134
2-[1-(oxan-4-yl)ethyl]pyridine
CID 171432124
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-ylpyrazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole?
The IUPAC name of 1-methyl-3-propan-2-ylpyrazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole (CID 162117240) is 1-methyl-3-propan-2-ylpyrazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 1-methyl-3-propan-2-ylpyrazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 1-methyl-3-propan-2-ylpyrazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole is CC(C)c1cccc(N2CCCCC2)n1.CC(C)c1ccccn1.CC(C)c1ccn(C)n1.CC(C)c1ccnc(C2CCOCC2)c1.CC(C)c1nccs1.
What is the InChIKey of 1-methyl-3-propan-2-ylpyrazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole?
The InChIKey is ZGXUXVLLXFASQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.C13H19NO.C8H11N.C7H12N2.C6H9NS/c1-11(2)12-7-6-8-13(14-12)15-9-4-3-5-10-15;1-10(2)12-3-6-14-13(9-12)11-4-7-15-8-5-11;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-5-9(3)8-7;1-5(2)6-7-3-4-8-6/h6-8,11H,3-5,9-10H2,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;3-7H,1-2H3;4-6H,1-3H3;3-5H,1-2H3.
What are the key properties of 1-methyl-3-propan-2-ylpyrazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole?
1-methyl-3-propan-2-ylpyrazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole has a molecular weight of 782.20 g/mol, XLogP of 12.31, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylpyrazole;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 162117240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).