2-(2,4-dimethylphenyl)-4-methyl-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]-1,3-thiazole-5-carboxamide

C21H28N2O2S — CID 52835430

IUPAC2-(2,4-dimethylphenyl)-4-methyl-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)CC[C@H]3CCCO3)s2)c(C)c1
InChIInChI=1S/C21H28N2O2S/c1-13-7-10-18(14(2)12-13)21-23-16(4)19(26-21)20(24)22-15(3)8-9-17-6-5-11-25-17/h7,10,12,15,17H,5-6,8-9,11H2,1-4H3,(H,22,24)/t15-,17+/m0/s1
InChIKeyODTRANUSEBYZFJ-DOTOQJQBSA-N
MW372.53 g/mol
LogP4.81
Rot. Bonds6

About 2-(2,4-dimethylphenyl)-4-methyl-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]-1,3-thiazole-5-carboxamide

2-(2,4-dimethylphenyl)-4-methyl-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 52835430) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-4-methyl-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-4-methyl-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID52835430
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name2-(2,4-dimethylphenyl)-4-methyl-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)CC[C@H]3CCCO3)s2)c(C)c1
InChIInChI=1S/C21H28N2O2S/c1-13-7-10-18(14(2)12-13)21-23-16(4)19(26-21)20(24)22-15(3)8-9-17-6-5-11-25-17/h7,10,12,15,17H,5-6,8-9,11H2,1-4H3,(H,22,24)/t15-,17+/m0/s1
InChIKeyODTRANUSEBYZFJ-DOTOQJQBSA-N
XLogP4.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 111447016
3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide
CID 94820204
N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94820918
N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94820916
2-(2,4-dimethylphenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49065917
2-N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]furan-2,5-dicarboxamide
CID 97086861
4,6-dimethyl-2-oxo-N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-1H-pyridine-3-carboxamide
CID 95906136
2-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 30902423
6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide
CID 51131195
[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540319
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 110372204
2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 35261312

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-4-methyl-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-4-methyl-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]-1,3-thiazole-5-carboxamide (CID 52835430) is 2-(2,4-dimethylphenyl)-4-methyl-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-4-methyl-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-4-methyl-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)CC[C@H]3CCCO3)s2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-4-methyl-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is ODTRANUSEBYZFJ-DOTOQJQBSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-13-7-10-18(14(2)12-13)21-23-16(4)19(26-21)20(24)22-15(3)8-9-17-6-5-11-25-17/h7,10,12,15,17H,5-6,8-9,11H2,1-4H3,(H,22,24)/t15-,17+/m0/s1.
What are the key properties of 2-(2,4-dimethylphenyl)-4-methyl-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
2-(2,4-dimethylphenyl)-4-methyl-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 372.53 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-4-methyl-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 52835430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).