1-(2-pyridin-4-yl-4-pyrimidin-5-yl-1,3-thiazol-5-yl)ethanone

C14H10N4OS — CID 82541342

IUPAC1-(2-pyridin-4-yl-4-pyrimidin-5-yl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(-c2ccncc2)nc1-c1cncnc1
InChIInChI=1S/C14H10N4OS/c1-9(19)13-12(11-6-16-8-17-7-11)18-14(20-13)10-2-4-15-5-3-10/h2-8H,1H3
InChIKeyJNMATBIEBFDHQQ-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.86
Rot. Bonds3

About 1-(2-pyridin-4-yl-4-pyrimidin-5-yl-1,3-thiazol-5-yl)ethanone

1-(2-pyridin-4-yl-4-pyrimidin-5-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 82541342) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-(2-pyridin-4-yl-4-pyrimidin-5-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-pyridin-4-yl-4-pyrimidin-5-yl-1,3-thiazol-5-yl)ethanone
PubChem CID82541342
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name1-(2-pyridin-4-yl-4-pyrimidin-5-yl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(-c2ccncc2)nc1-c1cncnc1
InChIInChI=1S/C14H10N4OS/c1-9(19)13-12(11-6-16-8-17-7-11)18-14(20-13)10-2-4-15-5-3-10/h2-8H,1H3
InChIKeyJNMATBIEBFDHQQ-UHFFFAOYSA-N
XLogP2.86
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-pyridin-4-yl-4-pyrimidin-5-yl-1,3-thiazol-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541304
1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541265
4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid
CID 110447711
1-[4-(3-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541280
1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
CID 82438655
1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
CID 58242807
1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone
CID 10734418
4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82227122
4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 70479920
4-phenyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 73012806
(E)-3-(4-pyridin-2-yl-2-pyridin-4-yl-1,3-thiazol-5-yl)but-2-enoic acid
CID 110447015
(NE)-N-[1-(2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
CID 136699796

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-yl-4-pyrimidin-5-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-pyridin-4-yl-4-pyrimidin-5-yl-1,3-thiazol-5-yl)ethanone (CID 82541342) is 1-(2-pyridin-4-yl-4-pyrimidin-5-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-pyridin-4-yl-4-pyrimidin-5-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-pyridin-4-yl-4-pyrimidin-5-yl-1,3-thiazol-5-yl)ethanone is CC(=O)c1sc(-c2ccncc2)nc1-c1cncnc1.
What is the InChIKey of 1-(2-pyridin-4-yl-4-pyrimidin-5-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is JNMATBIEBFDHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c1-9(19)13-12(11-6-16-8-17-7-11)18-14(20-13)10-2-4-15-5-3-10/h2-8H,1H3.
What are the key properties of 1-(2-pyridin-4-yl-4-pyrimidin-5-yl-1,3-thiazol-5-yl)ethanone?
1-(2-pyridin-4-yl-4-pyrimidin-5-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 282.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-yl-4-pyrimidin-5-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 82541342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).