N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6-pyridin-2-ylpyridine-2-carboxamide

C15H12N4O2S — CID 169101798

IUPACN-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6-pyridin-2-ylpyridine-2-carboxamide
SMILESO=C(Nc1nc(CO)cs1)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C15H12N4O2S/c20-8-10-9-22-15(17-10)19-14(21)13-6-3-5-12(18-13)11-4-1-2-7-16-11/h1-7,9,20H,8H2,(H,17,19,21)
InChIKeyIMXLMLARWDAXGV-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.34
Rot. Bonds4

About N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6-pyridin-2-ylpyridine-2-carboxamide

N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6-pyridin-2-ylpyridine-2-carboxamide (PubChem CID 169101798) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6-pyridin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6-pyridin-2-ylpyridine-2-carboxamide
PubChem CID169101798
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC NameN-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6-pyridin-2-ylpyridine-2-carboxamide
SMILESO=C(Nc1nc(CO)cs1)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C15H12N4O2S/c20-8-10-9-22-15(17-10)19-14(21)13-6-3-5-12(18-13)11-4-1-2-7-16-11/h1-7,9,20H,8H2,(H,17,19,21)
InChIKeyIMXLMLARWDAXGV-UHFFFAOYSA-N
XLogP2.34
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6-pyridin-2-ylpyridine-2-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6-pyridin-2-ylpyridine-2-carboxamide (CID 169101798) is N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6-pyridin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6-pyridin-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6-pyridin-2-ylpyridine-2-carboxamide is O=C(Nc1nc(CO)cs1)c1cccc(-c2ccccn2)n1.
What is the InChIKey of N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6-pyridin-2-ylpyridine-2-carboxamide?
The InChIKey is IMXLMLARWDAXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c20-8-10-9-22-15(17-10)19-14(21)13-6-3-5-12(18-13)11-4-1-2-7-16-11/h1-7,9,20H,8H2,(H,17,19,21).
What are the key properties of N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6-pyridin-2-ylpyridine-2-carboxamide?
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6-pyridin-2-ylpyridine-2-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-6-pyridin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 169101798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).