2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide

C18H22N2O2S — CID 35261312

IUPAC2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)N[C@H](C)[C@@H]1CCCO1
InChIInChI=1S/C18H22N2O2S/c1-12(15-9-6-10-22-15)20-18(21)17-13(2)19-16(23-17)11-14-7-4-3-5-8-14/h3-5,7-8,12,15H,6,9-11H2,1-2H3,(H,20,21)/t12-,15+/m1/s1
InChIKeyMOJDOAWZWJZFLO-DOMZBBRYSA-N
MW330.45 g/mol
LogP3.34
Rot. Bonds5

About 2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide

2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 35261312) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID35261312
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)N[C@H](C)[C@@H]1CCCO1
InChIInChI=1S/C18H22N2O2S/c1-12(15-9-6-10-22-15)20-18(21)17-13(2)19-16(23-17)11-14-7-4-3-5-8-14/h3-5,7-8,12,15H,6,9-11H2,1-2H3,(H,20,21)/t12-,15+/m1/s1
InChIKeyMOJDOAWZWJZFLO-DOMZBBRYSA-N
XLogP3.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
2-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 30902423
2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
CID 45154156
N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 39084136
(2S)-2-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 119361483
2-benzyl-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 39084160
4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 110389706
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-phenyltriazole-4-carboxamide
CID 35243595
N-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 119474665
3-chloro-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide
CID 1246036
3-chloro-N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 2970842
3-chloro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide
CID 1246039

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide (CID 35261312) is 2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccccc2)sc1C(=O)N[C@H](C)[C@@H]1CCCO1.
What is the InChIKey of 2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MOJDOAWZWJZFLO-DOMZBBRYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12(15-9-6-10-22-15)20-18(21)17-13(2)19-16(23-17)11-14-7-4-3-5-8-14/h3-5,7-8,12,15H,6,9-11H2,1-2H3,(H,20,21)/t12-,15+/m1/s1.
What are the key properties of 2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 35261312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).