4-ethyl-N-(4-methylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C17H22N4OS — CID 59579897

IUPAC4-ethyl-N-(4-methylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C17H22N4OS/c1-3-13-14(16(22)20-12-7-5-11(2)6-8-12)23-17(21-13)15-18-9-4-10-19-15/h4,9-12H,3,5-8H2,1-2H3,(H,20,22)
InChIKeyQJCFGLKWRDSDNR-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.47
Rot. Bonds4

About 4-ethyl-N-(4-methylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

4-ethyl-N-(4-methylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 59579897) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 4-ethyl-N-(4-methylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(4-methylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID59579897
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name4-ethyl-N-(4-methylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C17H22N4OS/c1-3-13-14(16(22)20-12-7-5-11(2)6-8-12)23-17(21-13)15-18-9-4-10-19-15/h4,9-12H,3,5-8H2,1-2H3,(H,20,22)
InChIKeyQJCFGLKWRDSDNR-UHFFFAOYSA-N
XLogP3.47
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-methylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(4-methylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 59579897) is 4-ethyl-N-(4-methylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(4-methylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(4-methylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)NC1CCC(C)CC1.
What is the InChIKey of 4-ethyl-N-(4-methylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is QJCFGLKWRDSDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-3-13-14(16(22)20-12-7-5-11(2)6-8-12)23-17(21-13)15-18-9-4-10-19-15/h4,9-12H,3,5-8H2,1-2H3,(H,20,22).
What are the key properties of 4-ethyl-N-(4-methylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
4-ethyl-N-(4-methylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-methylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59579897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).