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

C9H9N3OS — CID 2999793

IUPAC1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1nccs1
InChIInChI=1S/C9H9N3OS/c1-12-5-2-3-7(12)8(13)11-9-10-4-6-14-9/h2-6H,1H3,(H,10,11,13)
InChIKeySIIKLFGSKIKXSB-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.73
Rot. Bonds2

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

1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide (PubChem CID 2999793) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
PubChem CID2999793
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1nccs1
InChIInChI=1S/C9H9N3OS/c1-12-5-2-3-7(12)8(13)11-9-10-4-6-14-9/h2-6H,1H3,(H,10,11,13)
InChIKeySIIKLFGSKIKXSB-UHFFFAOYSA-N
XLogP1.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 43641889
1,3-dimethyl-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
CID 84560983
3-(4-fluorophenyl)-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 121083918
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide
CID 47335050
N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide
CID 110467037
1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 36916717
4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 43641885
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
4-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,2-benzothiazine-3-carboxamide
CID 54688181
1-[2-(1-methylpyrrol-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
CID 3001098

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide (CID 2999793) is 1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide is Cn1cccc1C(=O)Nc1nccs1.
What is the InChIKey of 1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide?
The InChIKey is SIIKLFGSKIKXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-12-5-2-3-7(12)8(13)11-9-10-4-6-14-9/h2-6H,1H3,(H,10,11,13).
What are the key properties of 1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide?
1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide has a molecular weight of 207.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 2999793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).