N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide

C16H14N2OS2 — CID 53037018

IUPACN-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCc3ccccc3)cs2)s1
InChIInChI=1S/C16H14N2OS2/c1-11-7-8-14(21-11)16-18-13(10-20-16)15(19)17-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyZNNGWUGEEIURIU-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.11
Rot. Bonds4

About N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide

N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 53037018) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID53037018
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC NameN-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCc3ccccc3)cs2)s1
InChIInChI=1S/C16H14N2OS2/c1-11-7-8-14(21-11)16-18-13(10-20-16)15(19)17-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyZNNGWUGEEIURIU-UHFFFAOYSA-N
XLogP4.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide
CID 117084082
N-[(2S)-butan-2-yl]-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 95056710
N-benzyl-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 17469813
N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488971
methyl 4-[[(2-phenyl-1,3-thiazole-4-carbonyl)amino]methyl]benzoate
CID 55386593
N-(4-methylphenyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 53037016
N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 46598097
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 17401006
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 110902537
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide (CID 53037018) is N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)NCc3ccccc3)cs2)s1.
What is the InChIKey of N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZNNGWUGEEIURIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-11-7-8-14(21-11)16-18-13(10-20-16)15(19)17-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,19).
What are the key properties of N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide?
N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 314.44 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53037018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).