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

C18H22N2O3S — CID 30902423

IUPAC2-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)[C@@H]3CCCO3)s2)cc1
InChIInChI=1S/C18H22N2O3S/c1-11(15-5-4-10-23-15)19-17(21)16-12(2)20-18(24-16)13-6-8-14(22-3)9-7-13/h6-9,11,15H,4-5,10H2,1-3H3,(H,19,21)/t11-,15-/m0/s1
InChIKeyVHHCIJYIVBPOQR-NHYWBVRUSA-N
MW346.45 g/mol
LogP3.42
Rot. Bonds5

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

2-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 30902423) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID30902423
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)[C@@H]3CCCO3)s2)cc1
InChIInChI=1S/C18H22N2O3S/c1-11(15-5-4-10-23-15)19-17(21)16-12(2)20-18(24-16)13-6-8-14(22-3)9-7-13/h6-9,11,15H,4-5,10H2,1-3H3,(H,19,21)/t11-,15-/m0/s1
InChIKeyVHHCIJYIVBPOQR-NHYWBVRUSA-N
XLogP3.42
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 35261312
1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6468062
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
2-cyclopropyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 35256649
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95157998
2-ethyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 35252949
1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6467333
3-chloro-N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 2970842
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208412
1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
CID 35246071

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide (CID 30902423) is 2-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)[C@@H]3CCCO3)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VHHCIJYIVBPOQR-NHYWBVRUSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-11(15-5-4-10-23-15)19-17(21)16-12(2)20-18(24-16)13-6-8-14(22-3)9-7-13/h6-9,11,15H,4-5,10H2,1-3H3,(H,19,21)/t11-,15-/m0/s1.
What are the key properties of 2-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide?
2-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30902423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).