2-methylsulfanyl-N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

C21H16N2OS3 — CID 126058573

IUPAC2-methylsulfanyl-N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCSc1ccccc1C(=O)Nc1nc(-c2cccs2)c(-c2ccccc2)s1
InChIInChI=1S/C21H16N2OS3/c1-25-16-11-6-5-10-15(16)20(24)23-21-22-18(17-12-7-13-26-17)19(27-21)14-8-3-2-4-9-14/h2-13H,1H3,(H,22,23,24)
InChIKeyGIVNQDMQQAMQLV-UHFFFAOYSA-N
MW408.57 g/mol
LogP6.51
Rot. Bonds5

About 2-methylsulfanyl-N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

2-methylsulfanyl-N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 126058573) has the molecular formula C21H16N2OS3 and a molecular weight of 408.57 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID126058573
Molecular FormulaC21H16N2OS3
Molecular Weight408.57 g/mol
Exact Mass408.04
IUPAC Name2-methylsulfanyl-N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCSc1ccccc1C(=O)Nc1nc(-c2cccs2)c(-c2ccccc2)s1
InChIInChI=1S/C21H16N2OS3/c1-25-16-11-6-5-10-15(16)20(24)23-21-22-18(17-12-7-13-26-17)19(27-21)14-8-3-2-4-9-14/h2-13H,1H3,(H,22,23,24)
InChIKeyGIVNQDMQQAMQLV-UHFFFAOYSA-N
XLogP6.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide
CID 43980747
2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41154127
N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 2281805
N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 7918509
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
CID 2475480
N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2-methylsulfanylbenzamide
CID 42100049
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide
CID 4307755
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690
2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 3649410
N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 2461024
2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8610272

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-methylsulfanyl-N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (CID 126058573) is 2-methylsulfanyl-N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-methylsulfanyl-N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is CSc1ccccc1C(=O)Nc1nc(-c2cccs2)c(-c2ccccc2)s1.
What is the InChIKey of 2-methylsulfanyl-N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is GIVNQDMQQAMQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS3/c1-25-16-11-6-5-10-15(16)20(24)23-21-22-18(17-12-7-13-26-17)19(27-21)14-8-3-2-4-9-14/h2-13H,1H3,(H,22,23,24).
What are the key properties of 2-methylsulfanyl-N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
2-methylsulfanyl-N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 408.57 g/mol, XLogP of 6.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 126058573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).