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

C12H18N2O2S — CID 113240320

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC2(O)CCCCC2)s1
InChIInChI=1S/C12H18N2O2S/c1-9-13-7-10(17-9)11(15)14-8-12(16)5-3-2-4-6-12/h7,16H,2-6,8H2,1H3,(H,14,15)
InChIKeyIYFLJTFPPIFQTC-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.88
Rot. Bonds3

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

N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 113240320) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID113240320
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC2(O)CCCCC2)s1
InChIInChI=1S/C12H18N2O2S/c1-9-13-7-10(17-9)11(15)14-8-12(16)5-3-2-4-6-12/h7,16H,2-6,8H2,1H3,(H,14,15)
InChIKeyIYFLJTFPPIFQTC-UHFFFAOYSA-N
XLogP1.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103712065
1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 103791308
2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide
CID 111331213
N-[(1-hydroxycyclohexyl)methyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 64868487
4-ethyl-N-[(1-hydroxycyclohexyl)methyl]-5-propylthiophene-2-carboxamide
CID 64866994
2-ethyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 111485009
N-[1-(hydroxymethyl)cyclobutyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103881158
N-[(1-hydroxycycloheptyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 65122812
1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 63931851
N-(2-amino-2-cyclopropylethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103872690
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111507929
2-bromo-N-[(1-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 109476429

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide (CID 113240320) is N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NCC2(O)CCCCC2)s1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is IYFLJTFPPIFQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-13-7-10(17-9)11(15)14-8-12(16)5-3-2-4-6-12/h7,16H,2-6,8H2,1H3,(H,14,15).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 113240320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).