N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)pyridine-2-carboxamide

C11H13N3OS — CID 57010720

IUPACN-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCCC1CN=C(NC(=O)c2ccccn2)S1
InChIInChI=1S/C11H13N3OS/c1-2-8-7-13-11(16-8)14-10(15)9-5-3-4-6-12-9/h3-6,8H,2,7H2,1H3,(H,13,14,15)
InChIKeyPMOKYXAGVJBHHR-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.69
Rot. Bonds2

About N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)pyridine-2-carboxamide

N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 57010720) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID57010720
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCCC1CN=C(NC(=O)c2ccccn2)S1
InChIInChI=1S/C11H13N3OS/c1-2-8-7-13-11(16-8)14-10(15)9-5-3-4-6-12-9/h3-6,8H,2,7H2,1H3,(H,13,14,15)
InChIKeyPMOKYXAGVJBHHR-UHFFFAOYSA-N
XLogP1.69
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 57010720) is N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)pyridine-2-carboxamide is CCC1CN=C(NC(=O)c2ccccn2)S1.
What is the InChIKey of N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is PMOKYXAGVJBHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-2-8-7-13-11(16-8)14-10(15)9-5-3-4-6-12-9/h3-6,8H,2,7H2,1H3,(H,13,14,15).
What are the key properties of N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)pyridine-2-carboxamide?
N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 57010720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).