5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide

C12H12ClN3O2S — CID 106383388

IUPAC5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C12H12ClN3O2S/c1-14-10-3-2-7(13)4-9(10)11(17)15-5-8-6-19-12(18)16-8/h2-4,6,14H,5H2,1H3,(H,15,17)(H,16,18)
InChIKeyHWIUTCJLOYSNST-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.06
Rot. Bonds4

About 5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide

5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 106383388) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID106383388
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C12H12ClN3O2S/c1-14-10-3-2-7(13)4-9(10)11(17)15-5-8-6-19-12(18)16-8/h2-4,6,14H,5H2,1H3,(H,15,17)(H,16,18)
InChIKeyHWIUTCJLOYSNST-UHFFFAOYSA-N
XLogP2.06
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383389
4-chloro-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]benzoic acid
CID 106382906
4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383401
2-fluoro-4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 104929955
1-(4-chlorophenyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 136515418
2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106382415
5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide
CID 62173121
3-chloro-4-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 103862828
3-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 113341020
2-amino-5-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 114181175
4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 114181781
2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 107358887

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide (CID 106383388) is 5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide is CNc1ccc(Cl)cc1C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is HWIUTCJLOYSNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-14-10-3-2-7(13)4-9(10)11(17)15-5-8-6-19-12(18)16-8/h2-4,6,14H,5H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 297.77 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 106383388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).