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

C12H18N2O2S — CID 113241300

IUPACN-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC2CCCC(O)C2)cs1
InChIInChI=1S/C12H18N2O2S/c1-8-14-11(7-17-8)12(16)13-6-9-3-2-4-10(15)5-9/h7,9-10,15H,2-6H2,1H3,(H,13,16)
InChIKeyOAYNWXKVSXVYTM-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.73
Rot. Bonds3

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

N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 113241300) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID113241300
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC2CCCC(O)C2)cs1
InChIInChI=1S/C12H18N2O2S/c1-8-14-11(7-17-8)12(16)13-6-9-3-2-4-10(15)5-9/h7,9-10,15H,2-6H2,1H3,(H,13,16)
InChIKeyOAYNWXKVSXVYTM-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methyl]-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 111460007
3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 115654558
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146199
3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 114148147
N-[(3-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 103707640
5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide
CID 111459726
N-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 103280451
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 103691279
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111619178
2-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide
CID 111460360

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 113241300) is N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCC2CCCC(O)C2)cs1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is OAYNWXKVSXVYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-14-11(7-17-8)12(16)13-6-9-3-2-4-10(15)5-9/h7,9-10,15H,2-6H2,1H3,(H,13,16).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 113241300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).