4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

C10H9N3OS — CID 50913360

IUPAC4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cccnc1
InChIInChI=1S/C10H9N3OS/c1-7-9(15-6-12-7)10(14)13-8-3-2-4-11-5-8/h2-6H,1H3,(H,13,14)
InChIKeyQLBYVTDOPMDCAJ-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.10
Rot. Bonds2

About 4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 50913360) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID50913360
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1cccnc1
InChIInChI=1S/C10H9N3OS/c1-7-9(15-6-12-7)10(14)13-8-3-2-4-11-5-8/h2-6H,1H3,(H,13,14)
InChIKeyQLBYVTDOPMDCAJ-UHFFFAOYSA-N
XLogP2.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 50913360) is 4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1cccnc1.
What is the InChIKey of 4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is QLBYVTDOPMDCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-7-9(15-6-12-7)10(14)13-8-3-2-4-11-5-8/h2-6H,1H3,(H,13,14).
What are the key properties of 4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 219.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50913360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).