5-[(1-methylpyrrole-2-carbonyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C15H13N5O2S — CID 71088536

IUPAC5-[(1-methylpyrrole-2-carbonyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCn1cccc1C(=O)Nc1sc(-c2ccncc2)nc1C(N)=O
InChIInChI=1S/C15H13N5O2S/c1-20-8-2-3-10(20)13(22)19-15-11(12(16)21)18-14(23-15)9-4-6-17-7-5-9/h2-8H,1H3,(H2,16,21)(H,19,22)
InChIKeyMXYAFAVXPAPULS-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.89
Rot. Bonds4

About 5-[(1-methylpyrrole-2-carbonyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

5-[(1-methylpyrrole-2-carbonyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 71088536) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 5-[(1-methylpyrrole-2-carbonyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(1-methylpyrrole-2-carbonyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID71088536
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name5-[(1-methylpyrrole-2-carbonyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCn1cccc1C(=O)Nc1sc(-c2ccncc2)nc1C(N)=O
InChIInChI=1S/C15H13N5O2S/c1-20-8-2-3-10(20)13(22)19-15-11(12(16)21)18-14(23-15)9-4-6-17-7-5-9/h2-8H,1H3,(H2,16,21)(H,19,22)
InChIKeyMXYAFAVXPAPULS-UHFFFAOYSA-N
XLogP1.89
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrrole-2-carbonyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(1-methylpyrrole-2-carbonyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 71088536) is 5-[(1-methylpyrrole-2-carbonyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(1-methylpyrrole-2-carbonyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(1-methylpyrrole-2-carbonyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is Cn1cccc1C(=O)Nc1sc(-c2ccncc2)nc1C(N)=O.
What is the InChIKey of 5-[(1-methylpyrrole-2-carbonyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is MXYAFAVXPAPULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-20-8-2-3-10(20)13(22)19-15-11(12(16)21)18-14(23-15)9-4-6-17-7-5-9/h2-8H,1H3,(H2,16,21)(H,19,22).
What are the key properties of 5-[(1-methylpyrrole-2-carbonyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
5-[(1-methylpyrrole-2-carbonyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrrole-2-carbonyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71088536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).