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

C17H12N4OS3 — CID 18200258

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1csc(-c2cccs2)n1
InChIInChI=1S/C17H12N4OS3/c22-15(12-10-24-16(18-12)13-7-4-8-23-13)19-17-21-20-14(25-17)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,21,22)
InChIKeyYXUOYLFLRZXUDJ-UHFFFAOYSA-N
MW384.51 g/mol
LogP4.57
Rot. Bonds5

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

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 18200258) has the molecular formula C17H12N4OS3 and a molecular weight of 384.51 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID18200258
Molecular FormulaC17H12N4OS3
Molecular Weight384.51 g/mol
Exact Mass384.02
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1csc(-c2cccs2)n1
InChIInChI=1S/C17H12N4OS3/c22-15(12-10-24-16(18-12)13-7-4-8-23-13)19-17-21-20-14(25-17)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,21,22)
InChIKeyYXUOYLFLRZXUDJ-UHFFFAOYSA-N
XLogP4.57
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18229691
N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide
CID 860501
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide
CID 30581878
N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55536744
N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 117094559
2-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24649178
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 741030
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 9046504
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46678523

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 18200258) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(Nc1nnc(Cc2ccccc2)s1)c1csc(-c2cccs2)n1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is YXUOYLFLRZXUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS3/c22-15(12-10-24-16(18-12)13-7-4-8-23-13)19-17-21-20-14(25-17)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,19,21,22).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18200258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).