N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methylpyridine-2-carboxamide

C10H11N3OS — CID 47151600

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC2=NCCS2)n1
InChIInChI=1S/C10H11N3OS/c1-7-3-2-4-8(12-7)9(14)13-10-11-5-6-15-10/h2-4H,5-6H2,1H3,(H,11,13,14)
InChIKeyBAQVTDKFWGMRBB-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.22
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methylpyridine-2-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methylpyridine-2-carboxamide (PubChem CID 47151600) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-6-methylpyridine-2-carboxamide
PubChem CID47151600
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC2=NCCS2)n1
InChIInChI=1S/C10H11N3OS/c1-7-3-2-4-8(12-7)9(14)13-10-11-5-6-15-10/h2-4H,5-6H2,1H3,(H,11,13,14)
InChIKeyBAQVTDKFWGMRBB-UHFFFAOYSA-N
XLogP1.22
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methylpyridine-2-carboxamide (CID 47151600) is N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NC2=NCCS2)n1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methylpyridine-2-carboxamide?
The InChIKey is BAQVTDKFWGMRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7-3-2-4-8(12-7)9(14)13-10-11-5-6-15-10/h2-4H,5-6H2,1H3,(H,11,13,14).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methylpyridine-2-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methylpyridine-2-carboxamide has a molecular weight of 221.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 47151600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).