2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide

C12H11ClN2OS2 — CID 107024982

IUPAC2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
SMILESCc1nc(NC(=O)c2cc(S)ccc2Cl)sc1C
InChIInChI=1S/C12H11ClN2OS2/c1-6-7(2)18-12(14-6)15-11(16)9-5-8(17)3-4-10(9)13/h3-5,17H,1-2H3,(H,14,15,16)
InChIKeyJYTMUEJNWYZXAO-UHFFFAOYSA-N
MW298.82 g/mol
LogP3.95
Rot. Bonds2

About 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide

2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide (PubChem CID 107024982) has the molecular formula C12H11ClN2OS2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
PubChem CID107024982
Molecular FormulaC12H11ClN2OS2
Molecular Weight298.82 g/mol
Exact Mass298.00
IUPAC Name2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
SMILESCc1nc(NC(=O)c2cc(S)ccc2Cl)sc1C
InChIInChI=1S/C12H11ClN2OS2/c1-6-7(2)18-12(14-6)15-11(16)9-5-8(17)3-4-10(9)13/h3-5,17H,1-2H3,(H,14,15,16)
InChIKeyJYTMUEJNWYZXAO-UHFFFAOYSA-N
XLogP3.95
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107021003
4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 81226435
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide
CID 107020050
2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107025323
5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923155
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide
CID 79769818
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
CID 17399738
3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide
CID 896647
5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114923156
3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 19513753
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107024984
2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide
CID 107587050

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide?
The IUPAC name of 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide (CID 107024982) is 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide is Cc1nc(NC(=O)c2cc(S)ccc2Cl)sc1C.
What is the InChIKey of 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide?
The InChIKey is JYTMUEJNWYZXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS2/c1-6-7(2)18-12(14-6)15-11(16)9-5-8(17)3-4-10(9)13/h3-5,17H,1-2H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide?
2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide has a molecular weight of 298.82 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide is sourced from PubChem (CID 107024982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).