(3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone

C9H5ClN2OS — CID 107359322

IUPAC(3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)c1sccc1Cl
InChIInChI=1S/C9H5ClN2OS/c10-6-2-5-14-8(6)7(13)9-11-3-1-4-12-9/h1-5H
InChIKeyACSYYMQGEPEVAZ-UHFFFAOYSA-N
MW224.67 g/mol
LogP2.42
Rot. Bonds2

About (3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone

(3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone (PubChem CID 107359322) has the molecular formula C9H5ClN2OS and a molecular weight of 224.67 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone
PubChem CID107359322
Molecular FormulaC9H5ClN2OS
Molecular Weight224.67 g/mol
Exact Mass223.98
IUPAC Name(3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)c1sccc1Cl
InChIInChI=1S/C9H5ClN2OS/c10-6-2-5-14-8(6)7(13)9-11-3-1-4-12-9/h1-5H
InChIKeyACSYYMQGEPEVAZ-UHFFFAOYSA-N
XLogP2.42
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone 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

(3-chloro-2-pyridinyl)-(3-chlorothiophen-2-yl)methanone
CID 107359480
(3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methanone
CID 107359425
(3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone
CID 107361591
(3-chlorothiophen-2-yl)-thiophen-2-ylmethanone
CID 80529755
(3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone
CID 107361601
(3-aminophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531807
(3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115802142
(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone
CID 80530097
(2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone
CID 102830634
(3-chlorothiophen-2-yl)-(3-iodophenyl)methanone
CID 80529870
pyrimidin-2-yl(thiophen-3-yl)methanone
CID 65100047
(3-chlorothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783692

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone?
The IUPAC name of (3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone (CID 107359322) is (3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone is O=C(c1ncccn1)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone?
The InChIKey is ACSYYMQGEPEVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2OS/c10-6-2-5-14-8(6)7(13)9-11-3-1-4-12-9/h1-5H.
What are the key properties of (3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone?
(3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone has a molecular weight of 224.67 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone is sourced from PubChem (CID 107359322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).