1-methyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrole-2,4-dicarboxamide

C15H14N4O2S — CID 136513810

IUPAC1-methyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrole-2,4-dicarboxamide
SMILESCc1nc2ccc(NC(=O)c3cc(C(N)=O)cn3C)cc2s1
InChIInChI=1S/C15H14N4O2S/c1-8-17-11-4-3-10(6-13(11)22-8)18-15(21)12-5-9(14(16)20)7-19(12)2/h3-7H,1-2H3,(H2,16,20)(H,18,21)
InChIKeyQTCMGMLJOCBKIR-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.29
Rot. Bonds3

About 1-methyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrole-2,4-dicarboxamide

1-methyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrole-2,4-dicarboxamide (PubChem CID 136513810) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 1-methyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrole-2,4-dicarboxamide.

Molecular Properties

Compound Name1-methyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrole-2,4-dicarboxamide
PubChem CID136513810
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name1-methyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrole-2,4-dicarboxamide
SMILESCc1nc2ccc(NC(=O)c3cc(C(N)=O)cn3C)cc2s1
InChIInChI=1S/C15H14N4O2S/c1-8-17-11-4-3-10(6-13(11)22-8)18-15(21)12-5-9(14(16)20)7-19(12)2/h3-7H,1-2H3,(H2,16,20)(H,18,21)
InChIKeyQTCMGMLJOCBKIR-UHFFFAOYSA-N
XLogP2.29
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide
CID 136513814
1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4877035
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 61042126
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 18089639
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 4800129
2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 79796818
2-amino-4-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 79703749
3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 26693829
N-(2-methyl-1,3-benzothiazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 8780534

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrole-2,4-dicarboxamide?
The IUPAC name of 1-methyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrole-2,4-dicarboxamide (CID 136513810) is 1-methyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrole-2,4-dicarboxamide.
What is the SMILES notation for 1-methyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrole-2,4-dicarboxamide?
The canonical SMILES for 1-methyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrole-2,4-dicarboxamide is Cc1nc2ccc(NC(=O)c3cc(C(N)=O)cn3C)cc2s1.
What is the InChIKey of 1-methyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrole-2,4-dicarboxamide?
The InChIKey is QTCMGMLJOCBKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-8-17-11-4-3-10(6-13(11)22-8)18-15(21)12-5-9(14(16)20)7-19(12)2/h3-7H,1-2H3,(H2,16,20)(H,18,21).
What are the key properties of 1-methyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrole-2,4-dicarboxamide?
1-methyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrole-2,4-dicarboxamide has a molecular weight of 314.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrole-2,4-dicarboxamide is sourced from PubChem (CID 136513810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).