2,5-dimethyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

C16H15N3OS2 — CID 124611260

IUPAC2,5-dimethyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@H](c2ccccc2)c2nccs2)c(C)s1
InChIInChI=1S/C16H15N3OS2/c1-10-13(18-11(2)22-10)15(20)19-14(16-17-8-9-21-16)12-6-4-3-5-7-12/h3-9,14H,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyXPBWPIZJTLXRSA-CQSZACIVSA-N
MW329.45 g/mol
LogP3.74
Rot. Bonds4

About 2,5-dimethyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

2,5-dimethyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 124611260) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID124611260
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name2,5-dimethyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@H](c2ccccc2)c2nccs2)c(C)s1
InChIInChI=1S/C16H15N3OS2/c1-10-13(18-11(2)22-10)15(20)19-14(16-17-8-9-21-16)12-6-4-3-5-7-12/h3-9,14H,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyXPBWPIZJTLXRSA-CQSZACIVSA-N
XLogP3.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 110465502
1-oxido-N-[phenyl(1,3-thiazol-2-yl)methyl]pyridin-1-ium-4-carboxamide
CID 86889157
5-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119757925
2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid
CID 120512144
(2R)-2-(benzimidazol-1-yl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]propanamide
CID 99804213
2-[methyl-[2-oxo-2-[[phenyl(1,3-thiazol-2-yl)methyl]amino]ethyl]amino]propanoic acid
CID 119913156
2-phenyl-2-(1,3-thiazol-2-yl)acetic acid
CID 115006319
2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine
CID 62071098
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56529662
6-fluoro-2-oxo-N-[phenyl(1,3-thiazol-2-yl)methyl]-1H-quinoline-4-carboxamide
CID 154861329
N-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 77094415
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 124611260) is 2,5-dimethyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N[C@H](c2ccccc2)c2nccs2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XPBWPIZJTLXRSA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-10-13(18-11(2)22-10)15(20)19-14(16-17-8-9-21-16)12-6-4-3-5-7-12/h3-9,14H,1-2H3,(H,19,20)/t14-/m1/s1.
What are the key properties of 2,5-dimethyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2,5-dimethyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 124611260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).