N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C16H20N4O2S — CID 71979692

IUPACN-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCC1(CNC(=O)c2cnc(-c3ncccn3)s2)CCCCC1O
InChIInChI=1S/C16H20N4O2S/c1-16(6-3-2-5-12(16)21)10-20-14(22)11-9-19-15(23-11)13-17-7-4-8-18-13/h4,7-9,12,21H,2-3,5-6,10H2,1H3,(H,20,22)
InChIKeyDVKDSKGHPOJEOR-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.27
Rot. Bonds4

About N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 71979692) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID71979692
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCC1(CNC(=O)c2cnc(-c3ncccn3)s2)CCCCC1O
InChIInChI=1S/C16H20N4O2S/c1-16(6-3-2-5-12(16)21)10-20-14(22)11-9-19-15(23-11)13-17-7-4-8-18-13/h4,7-9,12,21H,2-3,5-6,10H2,1H3,(H,20,22)
InChIKeyDVKDSKGHPOJEOR-UHFFFAOYSA-N
XLogP2.27
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 71979692) is N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CC1(CNC(=O)c2cnc(-c3ncccn3)s2)CCCCC1O.
What is the InChIKey of N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DVKDSKGHPOJEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-16(6-3-2-5-12(16)21)10-20-14(22)11-9-19-15(23-11)13-17-7-4-8-18-13/h4,7-9,12,21H,2-3,5-6,10H2,1H3,(H,20,22).
What are the key properties of N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71979692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).