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

C17H28N2O2S — CID 110003363

IUPACN-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(C)C)c(C(=O)N(C)CC2CCCCC2O)s1
InChIInChI=1S/C17H28N2O2S/c1-11(2)9-14-16(22-12(3)18-14)17(21)19(4)10-13-7-5-6-8-15(13)20/h11,13,15,20H,5-10H2,1-4H3
InChIKeyDKNZGMMWCKPGCH-UHFFFAOYSA-N
MW324.49 g/mol
LogP3.27
Rot. Bonds5

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

N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 110003363) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID110003363
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(C)C)c(C(=O)N(C)CC2CCCCC2O)s1
InChIInChI=1S/C17H28N2O2S/c1-11(2)9-14-16(22-12(3)18-14)17(21)19(4)10-13-7-5-6-8-15(13)20/h11,13,15,20H,5-10H2,1-4H3
InChIKeyDKNZGMMWCKPGCH-UHFFFAOYSA-N
XLogP3.27
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-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

(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]methanone
CID 164642110
[4-(Difluoromethyl)-4-hydroxypiperidin-1-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 139010148
N-[(2-hydroxycyclohexyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 64927143
(3R*,4R*)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)carbonyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72883504
3-[(3R*,4S*)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)carbonyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol
CID 72920447
{3-Allyl-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)carbonyl]-3-piperidinyl}methanol
CID 72922014
(9-Hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 75512798
N-(1-hydroxybutan-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 86783509
1-[2-Methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid
CID 91648416
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[(3S)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone
CID 97147769
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone
CID 97147770
[(1S,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl]-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 97787735

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 110003363) is N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide is Cc1nc(CC(C)C)c(C(=O)N(C)CC2CCCCC2O)s1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DKNZGMMWCKPGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-11(2)9-14-16(22-12(3)18-14)17(21)19(4)10-13-7-5-6-8-15(13)20/h11,13,15,20H,5-10H2,1-4H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 324.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110003363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).