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

C14H12N4OS — CID 2594234

IUPAC1-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C14H12N4OS/c1-18-8-4-6-12(18)13(19)17-14-16-11(9-20-14)10-5-2-3-7-15-10/h2-9H,1H3,(H,16,17,19)
InChIKeyZDEYOVCHFKOCAS-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.80
Rot. Bonds3

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

1-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide (PubChem CID 2594234) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
PubChem CID2594234
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name1-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C14H12N4OS/c1-18-8-4-6-12(18)13(19)17-14-16-11(9-20-14)10-5-2-3-7-15-10/h2-9H,1H3,(H,16,17,19)
InChIKeyZDEYOVCHFKOCAS-UHFFFAOYSA-N
XLogP2.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide (CID 2594234) is 1-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide is Cn1cccc1C(=O)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 1-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide?
The InChIKey is ZDEYOVCHFKOCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-18-8-4-6-12(18)13(19)17-14-16-11(9-20-14)10-5-2-3-7-15-10/h2-9H,1H3,(H,16,17,19).
What are the key properties of 1-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide?
1-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 2594234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).