1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrole-2-carboxamide

C10H11N3OS — CID 2487624

IUPAC1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
SMILESCc1csc(NC(=O)c2cccn2C)n1
InChIInChI=1S/C10H11N3OS/c1-7-6-15-10(11-7)12-9(14)8-4-3-5-13(8)2/h3-6H,1-2H3,(H,11,12,14)
InChIKeyYCDXNRUAJIQLMQ-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.04
Rot. Bonds2

About 1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrole-2-carboxamide

1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrole-2-carboxamide (PubChem CID 2487624) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
PubChem CID2487624
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
SMILESCc1csc(NC(=O)c2cccn2C)n1
InChIInChI=1S/C10H11N3OS/c1-7-6-15-10(11-7)12-9(14)8-4-3-5-13(8)2/h3-6H,1-2H3,(H,11,12,14)
InChIKeyYCDXNRUAJIQLMQ-UHFFFAOYSA-N
XLogP2.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrole-2-carboxamide (CID 2487624) is 1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrole-2-carboxamide is Cc1csc(NC(=O)c2cccn2C)n1.
What is the InChIKey of 1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrole-2-carboxamide?
The InChIKey is YCDXNRUAJIQLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7-6-15-10(11-7)12-9(14)8-4-3-5-13(8)2/h3-6H,1-2H3,(H,11,12,14).
What are the key properties of 1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrole-2-carboxamide?
1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrole-2-carboxamide has a molecular weight of 221.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 2487624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).