(4-cyclobutylphenyl)-(thiadiazol-5-yl)methanone

C13H12N2OS — CID 105131700

IUPAC(4-cyclobutylphenyl)-(thiadiazol-5-yl)methanone
SMILESO=C(c1ccc(C2CCC2)cc1)c1cnns1
InChIInChI=1S/C13H12N2OS/c16-13(12-8-14-15-17-12)11-6-4-10(5-7-11)9-2-1-3-9/h4-9H,1-3H2
InChIKeyNUTFRSZLIIJJKO-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.04
Rot. Bonds3

About (4-cyclobutylphenyl)-(thiadiazol-5-yl)methanone

(4-cyclobutylphenyl)-(thiadiazol-5-yl)methanone (PubChem CID 105131700) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-(thiadiazol-5-yl)methanone
PubChem CID105131700
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name(4-cyclobutylphenyl)-(thiadiazol-5-yl)methanone
SMILESO=C(c1ccc(C2CCC2)cc1)c1cnns1
InChIInChI=1S/C13H12N2OS/c16-13(12-8-14-15-17-12)11-6-4-10(5-7-11)9-2-1-3-9/h4-9H,1-3H2
InChIKeyNUTFRSZLIIJJKO-UHFFFAOYSA-N
XLogP3.04
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclobutylphenyl)-(thiadiazol-5-yl)methanone 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

(6-chloro-3-pyridinyl)-(4-cyclobutylphenyl)methanone
CID 116505677
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004
(4-cyclohexylphenyl)-pyridin-4-ylmethanone
CID 43160506
(4-cyclobutylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967818
(4-bromophenyl)-(4-cyclohexylphenyl)methanone
CID 43338426
4-(4-cyclobutylphenyl)benzoic acid
CID 116506494
(4-cyclobutylphenyl)-(2-methyl-4-pyridinyl)methanone
CID 106754787
(5-bromo-3-pyridinyl)-(4-cyclohexylphenyl)methanone
CID 43338411
(4-cyclobutylphenyl)-(cyclohepten-1-yl)methanone
CID 103450541
(4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 115807772
(4-cyclobutylphenyl)-(thiolan-2-yl)methanone
CID 116505684
(2-amino-5-bromophenyl)-(4-cyclobutylphenyl)methanone
CID 116505708

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-(thiadiazol-5-yl)methanone?
The IUPAC name of (4-cyclobutylphenyl)-(thiadiazol-5-yl)methanone (CID 105131700) is (4-cyclobutylphenyl)-(thiadiazol-5-yl)methanone.
What is the SMILES notation for (4-cyclobutylphenyl)-(thiadiazol-5-yl)methanone?
The canonical SMILES for (4-cyclobutylphenyl)-(thiadiazol-5-yl)methanone is O=C(c1ccc(C2CCC2)cc1)c1cnns1.
What is the InChIKey of (4-cyclobutylphenyl)-(thiadiazol-5-yl)methanone?
The InChIKey is NUTFRSZLIIJJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c16-13(12-8-14-15-17-12)11-6-4-10(5-7-11)9-2-1-3-9/h4-9H,1-3H2.
What are the key properties of (4-cyclobutylphenyl)-(thiadiazol-5-yl)methanone?
(4-cyclobutylphenyl)-(thiadiazol-5-yl)methanone has a molecular weight of 244.32 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 105131700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).