3-N-(5-chloro-1,3-thiazol-2-yl)-1-N-methylbenzene-1,3-dicarboxamide

C12H10ClN3O2S — CID 71863879

IUPAC3-N-(5-chloro-1,3-thiazol-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)Nc2ncc(Cl)s2)c1
InChIInChI=1S/C12H10ClN3O2S/c1-14-10(17)7-3-2-4-8(5-7)11(18)16-12-15-6-9(13)19-12/h2-6H,1H3,(H,14,17)(H,15,16,18)
InChIKeyVDTATVUHUCSZNT-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.41
Rot. Bonds3

About 3-N-(5-chloro-1,3-thiazol-2-yl)-1-N-methylbenzene-1,3-dicarboxamide

3-N-(5-chloro-1,3-thiazol-2-yl)-1-N-methylbenzene-1,3-dicarboxamide (PubChem CID 71863879) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is 3-N-(5-chloro-1,3-thiazol-2-yl)-1-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(5-chloro-1,3-thiazol-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
PubChem CID71863879
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC Name3-N-(5-chloro-1,3-thiazol-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)Nc2ncc(Cl)s2)c1
InChIInChI=1S/C12H10ClN3O2S/c1-14-10(17)7-3-2-4-8(5-7)11(18)16-12-15-6-9(13)19-12/h2-6H,1H3,(H,14,17)(H,15,16,18)
InChIKeyVDTATVUHUCSZNT-UHFFFAOYSA-N
XLogP2.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033062
3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2116508
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide
CID 154797463
N-(5-bromo-1,3-thiazol-2-yl)-3-hydroxybenzamide
CID 60654759
N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide
CID 90603545
2-[(3-hydroxybenzoyl)amino]-1,3-thiazole-5-sulfinic acid
CID 89199451
3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 36782312
3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60800822
3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide
CID 60789785
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
CID 42353300
3-nitro-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170547

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-chloro-1,3-thiazol-2-yl)-1-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(5-chloro-1,3-thiazol-2-yl)-1-N-methylbenzene-1,3-dicarboxamide (CID 71863879) is 3-N-(5-chloro-1,3-thiazol-2-yl)-1-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(5-chloro-1,3-thiazol-2-yl)-1-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(5-chloro-1,3-thiazol-2-yl)-1-N-methylbenzene-1,3-dicarboxamide is CNC(=O)c1cccc(C(=O)Nc2ncc(Cl)s2)c1.
What is the InChIKey of 3-N-(5-chloro-1,3-thiazol-2-yl)-1-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is VDTATVUHUCSZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/c1-14-10(17)7-3-2-4-8(5-7)11(18)16-12-15-6-9(13)19-12/h2-6H,1H3,(H,14,17)(H,15,16,18).
What are the key properties of 3-N-(5-chloro-1,3-thiazol-2-yl)-1-N-methylbenzene-1,3-dicarboxamide?
3-N-(5-chloro-1,3-thiazol-2-yl)-1-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 295.75 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-chloro-1,3-thiazol-2-yl)-1-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 71863879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).