5-methylpyrrolo[3,4-d][1,3]thiazole-2-carboxamide

C7H7N3OS — CID 141094481

IUPAC5-methylpyrrolo[3,4-d][1,3]thiazole-2-carboxamide
SMILESCn1cc2nc(C(N)=O)sc2c1
InChIInChI=1S/C7H7N3OS/c1-10-2-4-5(3-10)12-7(9-4)6(8)11/h2-3H,1H3,(H2,8,11)
InChIKeyWSSOCPHLSLEGDK-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.73
Rot. Bonds1

About 5-methylpyrrolo[3,4-d][1,3]thiazole-2-carboxamide

5-methylpyrrolo[3,4-d][1,3]thiazole-2-carboxamide (PubChem CID 141094481) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 5-methylpyrrolo[3,4-d][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name5-methylpyrrolo[3,4-d][1,3]thiazole-2-carboxamide
PubChem CID141094481
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name5-methylpyrrolo[3,4-d][1,3]thiazole-2-carboxamide
SMILESCn1cc2nc(C(N)=O)sc2c1
InChIInChI=1S/C7H7N3OS/c1-10-2-4-5(3-10)12-7(9-4)6(8)11/h2-3H,1H3,(H2,8,11)
InChIKeyWSSOCPHLSLEGDK-UHFFFAOYSA-N
XLogP0.73
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-1,3-benzothiazole-2-carboxamide
CID 539282
[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 141094419
6-propan-2-yloxy-1,3-benzothiazole-2-carboxamide
CID 119085444
4-tert-butyl-1,3-benzothiazole-2-carboxamide
CID 175765312
4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 22382631
4-oxo-3,1-benzothiazine-2-carboxamide
CID 14478769
4,6-dimethoxy-1,3-benzothiazole-2-carboxamide
CID 131858263
4-chloro-1,3-benzothiazole-2-carboxamide
CID 22283388
5,6,7-trimethoxy-1,3-benzothiazole-2-carboxamide
CID 622705
5-[(Z)-prop-1-enyl]-1,3-thiazole-2-carboxamide
CID 59218000
(Z)-3-amino-2-(1,3-benzothiazol-2-yl)but-2-enamide
CID 59268188
1-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethanone
CID 166523777

Frequently Asked Questions

What is the IUPAC name of 5-methylpyrrolo[3,4-d][1,3]thiazole-2-carboxamide?
The IUPAC name of 5-methylpyrrolo[3,4-d][1,3]thiazole-2-carboxamide (CID 141094481) is 5-methylpyrrolo[3,4-d][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 5-methylpyrrolo[3,4-d][1,3]thiazole-2-carboxamide?
The canonical SMILES for 5-methylpyrrolo[3,4-d][1,3]thiazole-2-carboxamide is Cn1cc2nc(C(N)=O)sc2c1.
What is the InChIKey of 5-methylpyrrolo[3,4-d][1,3]thiazole-2-carboxamide?
The InChIKey is WSSOCPHLSLEGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-10-2-4-5(3-10)12-7(9-4)6(8)11/h2-3H,1H3,(H2,8,11).
What are the key properties of 5-methylpyrrolo[3,4-d][1,3]thiazole-2-carboxamide?
5-methylpyrrolo[3,4-d][1,3]thiazole-2-carboxamide has a molecular weight of 181.22 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpyrrolo[3,4-d][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 141094481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).