N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

C18H14N6O2S — CID 131908239

IUPACN-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1cc(-c2cccnc2)no1)C(=O)c1csc(-c2ncccn2)n1
InChIInChI=1S/C18H14N6O2S/c1-24(10-13-8-14(23-26-13)12-4-2-5-19-9-12)18(25)15-11-27-17(22-15)16-20-6-3-7-21-16/h2-9,11H,10H2,1H3
InChIKeyFKELXHBNULPWJU-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.92
Rot. Bonds5

About N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 131908239) has the molecular formula C18H14N6O2S and a molecular weight of 378.42 g/mol. Its IUPAC name is N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID131908239
Molecular FormulaC18H14N6O2S
Molecular Weight378.42 g/mol
Exact Mass378.09
IUPAC NameN-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1cc(-c2cccnc2)no1)C(=O)c1csc(-c2ncccn2)n1
InChIInChI=1S/C18H14N6O2S/c1-24(10-13-8-14(23-26-13)12-4-2-5-19-9-12)18(25)15-11-27-17(22-15)16-20-6-3-7-21-16/h2-9,11H,10H2,1H3
InChIKeyFKELXHBNULPWJU-UHFFFAOYSA-N
XLogP2.92
TPSA97.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (CID 131908239) is N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is CN(Cc1cc(-c2cccnc2)no1)C(=O)c1csc(-c2ncccn2)n1.
What is the InChIKey of N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is FKELXHBNULPWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2S/c1-24(10-13-8-14(23-26-13)12-4-2-5-19-9-12)18(25)15-11-27-17(22-15)16-20-6-3-7-21-16/h2-9,11H,10H2,1H3.
What are the key properties of N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 378.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131908239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).