N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide

C14H13N3OS2 — CID 26584758

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NC2=NCCS2)s1
InChIInChI=1S/C14H13N3OS2/c1-9-16-11(10-5-3-2-4-6-10)12(20-9)13(18)17-14-15-7-8-19-14/h2-6H,7-8H2,1H3,(H,15,17,18)
InChIKeyNEYYBFFCJCVFTL-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.95
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 26584758) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID26584758
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NC2=NCCS2)s1
InChIInChI=1S/C14H13N3OS2/c1-9-16-11(10-5-3-2-4-6-10)12(20-9)13(18)17-14-15-7-8-19-14/h2-6H,7-8H2,1H3,(H,15,17,18)
InChIKeyNEYYBFFCJCVFTL-UHFFFAOYSA-N
XLogP2.95
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
N-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 17466495
2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95495373
2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 9086784
2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid
CID 2859080
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 24638936
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 2117314
N-(4,5-dihydro-1,3-thiazol-2-yl)-1,1-dioxo-6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 50749615
N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 119404834
1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
N-(3-chloro-4-methoxyphenyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 9083062
N'-(1,3-benzodioxole-5-carbonyl)-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 9084680

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide (CID 26584758) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)c(C(=O)NC2=NCCS2)s1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is NEYYBFFCJCVFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-9-16-11(10-5-3-2-4-6-10)12(20-9)13(18)17-14-15-7-8-19-14/h2-6H,7-8H2,1H3,(H,15,17,18).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 26584758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).