4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide

C19H24N2O2S — CID 28936035

IUPAC4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccccc2)sc1C(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C19H24N2O2S/c1-13-8-6-7-11-16(13)21-19(22)18-14(2)20-17(24-18)12-23-15-9-4-3-5-10-15/h3-5,9-10,13,16H,6-8,11-12H2,1-2H3,(H,21,22)/t13-,16+/m0/s1
InChIKeyQXNLYXJKQWJCTK-XJKSGUPXSA-N
MW344.48 g/mol
LogP4.34
Rot. Bonds5

About 4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide

4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide (PubChem CID 28936035) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
PubChem CID28936035
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccccc2)sc1C(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C19H24N2O2S/c1-13-8-6-7-11-16(13)21-19(22)18-14(2)20-17(24-18)12-23-15-9-4-3-5-10-15/h3-5,9-10,13,16H,6-8,11-12H2,1-2H3,(H,21,22)/t13-,16+/m0/s1
InChIKeyQXNLYXJKQWJCTK-XJKSGUPXSA-N
XLogP4.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 23612936
N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 16957722
2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclooctane-1-carboxylic acid
CID 120532919
4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 18593832
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
N-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 31462340
2-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 46741141
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 25487043
4-methyl-N-(3-methylbutyl)-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936080
N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935655
N-(4-fluorophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 50753451
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936066

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide (CID 28936035) is 4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide is Cc1nc(COc2ccccc2)sc1C(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of 4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is QXNLYXJKQWJCTK-XJKSGUPXSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13-8-6-7-11-16(13)21-19(22)18-14(2)20-17(24-18)12-23-15-9-4-3-5-10-15/h3-5,9-10,13,16H,6-8,11-12H2,1-2H3,(H,21,22)/t13-,16+/m0/s1.
What are the key properties of 4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 28936035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).