N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

C17H13N5OS3 — CID 78778709

IUPACN-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)c1ccc(CSc2ncn[nH]2)cc1
InChIInChI=1S/C17H13N5OS3/c23-15(21-17-20-13(9-26-17)14-2-1-7-24-14)12-5-3-11(4-6-12)8-25-16-18-10-19-22-16/h1-7,9-10H,8H2,(H,18,19,22)(H,20,21,23)
InChIKeyOIRPFJXRYHRFRV-UHFFFAOYSA-N
MW399.53 g/mol
LogP4.53
Rot. Bonds6

About N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide (PubChem CID 78778709) has the molecular formula C17H13N5OS3 and a molecular weight of 399.53 g/mol. Its IUPAC name is N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
PubChem CID78778709
Molecular FormulaC17H13N5OS3
Molecular Weight399.53 g/mol
Exact Mass399.03
IUPAC NameN-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)c1ccc(CSc2ncn[nH]2)cc1
InChIInChI=1S/C17H13N5OS3/c23-15(21-17-20-13(9-26-17)14-2-1-7-24-14)12-5-3-11(4-6-12)8-25-16-18-10-19-22-16/h1-7,9-10H,8H2,(H,18,19,22)(H,20,21,23)
InChIKeyOIRPFJXRYHRFRV-UHFFFAOYSA-N
XLogP4.53
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 32868614
4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 7579191
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 47057944
4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 108742096
N-quinolin-2-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 9360079
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 55604969
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 55505444
N-(2-hydroxyethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 78795124
N-[3-(phenylcarbamoylamino)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 55515308
6-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 51260316
N-methyl-3-[[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]amino]benzamide
CID 112767336
N-(1H-indazol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 71943302

Frequently Asked Questions

What is the IUPAC name of N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide (CID 78778709) is N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide is O=C(Nc1nc(-c2cccs2)cs1)c1ccc(CSc2ncn[nH]2)cc1.
What is the InChIKey of N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
The InChIKey is OIRPFJXRYHRFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS3/c23-15(21-17-20-13(9-26-17)14-2-1-7-24-14)12-5-3-11(4-6-12)8-25-16-18-10-19-22-16/h1-7,9-10H,8H2,(H,18,19,22)(H,20,21,23).
What are the key properties of N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide?
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide has a molecular weight of 399.53 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 78778709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).