4-methyl-N-[(3-propyl-1-pyridin-3-ylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C24H29N5OS — CID 143748401

IUPAC4-methyl-N-[(3-propyl-1-pyridin-3-ylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCCC1CCCC(CNC(=O)c2sc(-c3ncccn3)nc2C)(c2cccnc2)C1
InChIInChI=1S/C24H29N5OS/c1-3-7-18-8-4-10-24(14-18,19-9-5-11-25-15-19)16-28-22(30)20-17(2)29-23(31-20)21-26-12-6-13-27-21/h5-6,9,11-13,15,18H,3-4,7-8,10,14,16H2,1-2H3,(H,28,30)
InChIKeyCTRAADPNSXTZMW-UHFFFAOYSA-N
MW435.60 g/mol
LogP4.96
Rot. Bonds7

About 4-methyl-N-[(3-propyl-1-pyridin-3-ylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[(3-propyl-1-pyridin-3-ylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 143748401) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is 4-methyl-N-[(3-propyl-1-pyridin-3-ylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(3-propyl-1-pyridin-3-ylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID143748401
Molecular FormulaC24H29N5OS
Molecular Weight435.60 g/mol
Exact Mass435.21
IUPAC Name4-methyl-N-[(3-propyl-1-pyridin-3-ylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCCC1CCCC(CNC(=O)c2sc(-c3ncccn3)nc2C)(c2cccnc2)C1
InChIInChI=1S/C24H29N5OS/c1-3-7-18-8-4-10-24(14-18,19-9-5-11-25-15-19)16-28-22(30)20-17(2)29-23(31-20)21-26-12-6-13-27-21/h5-6,9,11-13,15,18H,3-4,7-8,10,14,16H2,1-2H3,(H,28,30)
InChIKeyCTRAADPNSXTZMW-UHFFFAOYSA-N
XLogP4.96
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-propyl-1-pyridin-3-ylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(3-propyl-1-pyridin-3-ylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 143748401) is 4-methyl-N-[(3-propyl-1-pyridin-3-ylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(3-propyl-1-pyridin-3-ylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(3-propyl-1-pyridin-3-ylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCCC1CCCC(CNC(=O)c2sc(-c3ncccn3)nc2C)(c2cccnc2)C1.
What is the InChIKey of 4-methyl-N-[(3-propyl-1-pyridin-3-ylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is CTRAADPNSXTZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS/c1-3-7-18-8-4-10-24(14-18,19-9-5-11-25-15-19)16-28-22(30)20-17(2)29-23(31-20)21-26-12-6-13-27-21/h5-6,9,11-13,15,18H,3-4,7-8,10,14,16H2,1-2H3,(H,28,30).
What are the key properties of 4-methyl-N-[(3-propyl-1-pyridin-3-ylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[(3-propyl-1-pyridin-3-ylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 435.60 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-propyl-1-pyridin-3-ylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 143748401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).