4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide

C12H11N3O2S — CID 47106736

IUPAC4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
SMILESCc1csc(NC(=O)c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C12H11N3O2S/c1-7-6-18-12(14-7)15-11(17)9-4-2-8(3-5-9)10(13)16/h2-6H,1H3,(H2,13,16)(H,14,15,17)
InChIKeyGPJAXIBCPFRXKI-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.80
Rot. Bonds3

About 4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide

4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide (PubChem CID 47106736) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
PubChem CID47106736
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
SMILESCc1csc(NC(=O)c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C12H11N3O2S/c1-7-6-18-12(14-7)15-11(17)9-4-2-8(3-5-9)10(13)16/h2-6H,1H3,(H2,13,16)(H,14,15,17)
InChIKeyGPJAXIBCPFRXKI-UHFFFAOYSA-N
XLogP1.80
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 62173171
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2566426
4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110761812
N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide
CID 56857360
3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 104627766
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 25237547
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704313
3-methoxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17425685

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide (CID 47106736) is 4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide is Cc1csc(NC(=O)c2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide?
The InChIKey is GPJAXIBCPFRXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-7-6-18-12(14-7)15-11(17)9-4-2-8(3-5-9)10(13)16/h2-6H,1H3,(H2,13,16)(H,14,15,17).
What are the key properties of 4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide?
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide has a molecular weight of 261.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 47106736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).