N-[(2-hydroxycyclohexyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C13H20N2O2S — CID 64927143

IUPACN-[(2-hydroxycyclohexyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CCCCC2O)s1
InChIInChI=1S/C13H20N2O2S/c1-8-12(18-9(2)15-8)13(17)14-7-10-5-3-4-6-11(10)16/h10-11,16H,3-7H2,1-2H3,(H,14,17)
InChIKeyKDZQZUFBVZWVSQ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.04
Rot. Bonds3

About N-[(2-hydroxycyclohexyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[(2-hydroxycyclohexyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 64927143) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID64927143
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CCCCC2O)s1
InChIInChI=1S/C13H20N2O2S/c1-8-12(18-9(2)15-8)13(17)14-7-10-5-3-4-6-11(10)16/h10-11,16H,3-7H2,1-2H3,(H,14,17)
InChIKeyKDZQZUFBVZWVSQ-UHFFFAOYSA-N
XLogP2.04
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 64927143) is N-[(2-hydroxycyclohexyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC2CCCCC2O)s1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is KDZQZUFBVZWVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-8-12(18-9(2)15-8)13(17)14-7-10-5-3-4-6-11(10)16/h10-11,16H,3-7H2,1-2H3,(H,14,17).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 64927143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).