(2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C17H19N3OS — CID 56819702

IUPAC(2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC1c1ccccc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H19N3OS/c21-16(15-12-14(15)13-4-2-1-3-5-13)19-7-9-20(10-8-19)17-18-6-11-22-17/h1-6,11,14-15H,7-10,12H2
InChIKeyUQTIDQAILYUUKX-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.60
Rot. Bonds3

About (2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

(2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 56819702) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is (2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID56819702
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name(2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC1c1ccccc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H19N3OS/c21-16(15-12-14(15)13-4-2-1-3-5-13)19-7-9-20(10-8-19)17-18-6-11-22-17/h1-6,11,14-15H,7-10,12H2
InChIKeyUQTIDQAILYUUKX-UHFFFAOYSA-N
XLogP2.60
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-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

[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95274950
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95147947
[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 95590974
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
[(1R,2S,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 124800490
(2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 79382749
[(1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 30906845
2-hydroxy-2-phenyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 111432215
[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone
CID 100620299
[6-(1,3-benzothiazol-2-yl)cyclohex-3-en-1-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 47023195
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95145272
[(1S,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclohexyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 30778029

Frequently Asked Questions

What is the IUPAC name of (2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 56819702) is (2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is O=C(C1CC1c1ccccc1)N1CCN(c2nccs2)CC1.
What is the InChIKey of (2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is UQTIDQAILYUUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c21-16(15-12-14(15)13-4-2-1-3-5-13)19-7-9-20(10-8-19)17-18-6-11-22-17/h1-6,11,14-15H,7-10,12H2.
What are the key properties of (2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 313.43 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56819702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).