N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide

C15H11ClN2OS3 — CID 7565311

IUPACN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1
InChIInChI=1S/C15H11ClN2OS3/c1-20-10-4-2-9(3-5-10)14(19)18-15-17-11(8-21-15)12-6-7-13(16)22-12/h2-8H,1H3,(H,17,18,19)
InChIKeyRXYOQSCEWBERFZ-UHFFFAOYSA-N
MW366.92 g/mol
LogP5.50
Rot. Bonds4

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide (PubChem CID 7565311) has the molecular formula C15H11ClN2OS3 and a molecular weight of 366.92 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
PubChem CID7565311
Molecular FormulaC15H11ClN2OS3
Molecular Weight366.92 g/mol
Exact Mass365.97
IUPAC NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1
InChIInChI=1S/C15H11ClN2OS3/c1-20-10-4-2-9(3-5-10)14(19)18-15-17-11(8-21-15)12-6-7-13(16)22-12/h2-8H,1H3,(H,17,18,19)
InChIKeyRXYOQSCEWBERFZ-UHFFFAOYSA-N
XLogP5.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.92
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 5002157
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide
CID 4062415
4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581409
3-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2330663
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41146697
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363664
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopropyl(methyl)sulfamoyl]benzamide
CID 41363909
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 4968210
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 2373735
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 43947289
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 8892333
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4224171

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide (CID 7565311) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1.
What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide?
The InChIKey is RXYOQSCEWBERFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS3/c1-20-10-4-2-9(3-5-10)14(19)18-15-17-11(8-21-15)12-6-7-13(16)22-12/h2-8H,1H3,(H,17,18,19).
What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide?
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide has a molecular weight of 366.92 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 7565311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).