4-methyl-N-(pyridin-2-ylmethyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C15H14N4OS — CID 20889814

IUPAC4-methyl-N-(pyridin-2-ylmethyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NCc1ccccn1
InChIInChI=1S/C15H14N4OS/c1-11-13(21-15(18-11)19-8-4-5-9-19)14(20)17-10-12-6-2-3-7-16-12/h2-9H,10H2,1H3,(H,17,20)
InChIKeyPVXNIQXWAIUSLI-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.57
Rot. Bonds4

About 4-methyl-N-(pyridin-2-ylmethyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

4-methyl-N-(pyridin-2-ylmethyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 20889814) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-methyl-N-(pyridin-2-ylmethyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(pyridin-2-ylmethyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID20889814
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name4-methyl-N-(pyridin-2-ylmethyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NCc1ccccn1
InChIInChI=1S/C15H14N4OS/c1-11-13(21-15(18-11)19-8-4-5-9-19)14(20)17-10-12-6-2-3-7-16-12/h2-9H,10H2,1H3,(H,17,20)
InChIKeyPVXNIQXWAIUSLI-UHFFFAOYSA-N
XLogP2.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(pyridin-2-ylmethyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(pyridin-2-ylmethyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 20889814) is 4-methyl-N-(pyridin-2-ylmethyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(pyridin-2-ylmethyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(pyridin-2-ylmethyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)NCc1ccccn1.
What is the InChIKey of 4-methyl-N-(pyridin-2-ylmethyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is PVXNIQXWAIUSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-11-13(21-15(18-11)19-8-4-5-9-19)14(20)17-10-12-6-2-3-7-16-12/h2-9H,10H2,1H3,(H,17,20).
What are the key properties of 4-methyl-N-(pyridin-2-ylmethyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-(pyridin-2-ylmethyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(pyridin-2-ylmethyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 20889814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).