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

C12H18N2O2S — CID 43389612

IUPACN-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCC(O)CC2)s1
InChIInChI=1S/C12H18N2O2S/c1-7-11(17-8(2)13-7)12(16)14-9-3-5-10(15)6-4-9/h9-10,15H,3-6H2,1-2H3,(H,14,16)
InChIKeyZWHWKZJBFYQTHI-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.79
Rot. Bonds2

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

N-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 43389612) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID43389612
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCC(O)CC2)s1
InChIInChI=1S/C12H18N2O2S/c1-7-11(17-8(2)13-7)12(16)14-9-3-5-10(15)6-4-9/h9-10,15H,3-6H2,1-2H3,(H,14,16)
InChIKeyZWHWKZJBFYQTHI-UHFFFAOYSA-N
XLogP1.79
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
N-(2-hydroxycyclobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 126856470
N-[2-(cyclopropylamino)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103806373
N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 71941859
2,4-dimethyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119425598
2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 95984995
N-cyclopentyl-2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 45495297
2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide
CID 91821812
2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 67204816
N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 110386309
2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 94364000
2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 82117272

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 43389612) is N-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC2CCC(O)CC2)s1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZWHWKZJBFYQTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-7-11(17-8(2)13-7)12(16)14-9-3-5-10(15)6-4-9/h9-10,15H,3-6H2,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 43389612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).