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

C10H11N3O2S — CID 27023607

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC2=NCCS2)cn1
InChIInChI=1S/C10H11N3O2S/c1-15-8-3-2-7(6-12-8)9(14)13-10-11-4-5-16-10/h2-3,6H,4-5H2,1H3,(H,11,13,14)
InChIKeyJSEDJALNMVLHSU-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.92
Rot. Bonds2

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methoxypyridine-3-carboxamide (PubChem CID 27023607) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-6-methoxypyridine-3-carboxamide
PubChem CID27023607
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC2=NCCS2)cn1
InChIInChI=1S/C10H11N3O2S/c1-15-8-3-2-7(6-12-8)9(14)13-10-11-4-5-16-10/h2-3,6H,4-5H2,1H3,(H,11,13,14)
InChIKeyJSEDJALNMVLHSU-UHFFFAOYSA-N
XLogP0.92
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methoxypyridine-3-carboxamide (CID 27023607) is N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)NC2=NCCS2)cn1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methoxypyridine-3-carboxamide?
The InChIKey is JSEDJALNMVLHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-15-8-3-2-7(6-12-8)9(14)13-10-11-4-5-16-10/h2-3,6H,4-5H2,1H3,(H,11,13,14).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methoxypyridine-3-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methoxypyridine-3-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 27023607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).