[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

C18H20FN3OS — CID 94168140

IUPAC[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1csc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H20FN3OS/c1-12-11-24-18(20-12)22-8-6-21(7-9-22)17(23)16-10-15(16)13-2-4-14(19)5-3-13/h2-5,11,15-16H,6-10H2,1H3/t15-,16-/m1/s1
InChIKeyHTUNFZLWWBFIAY-HZPDHXFCSA-N
MW345.44 g/mol
LogP3.04
Rot. Bonds3

About [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 94168140) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID94168140
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC Name[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1csc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H20FN3OS/c1-12-11-24-18(20-12)22-8-6-21(7-9-22)17(23)16-10-15(16)13-2-4-14(19)5-3-13/h2-5,11,15-16H,6-10H2,1H3/t15-,16-/m1/s1
InChIKeyHTUNFZLWWBFIAY-HZPDHXFCSA-N
XLogP3.04
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-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,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95590745
[2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 56821682
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 100893373
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 159187569
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 94532811
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 94525636
[2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559905
cyclohexyl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 110710911
N-(5-fluoro-2-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 99596550
[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95274950
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110741651
[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 51896892

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 94168140) is [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is Cc1csc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)n1.
What is the InChIKey of [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is HTUNFZLWWBFIAY-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H20FN3OS/c1-12-11-24-18(20-12)22-8-6-21(7-9-22)17(23)16-10-15(16)13-2-4-14(19)5-3-13/h2-5,11,15-16H,6-10H2,1H3/t15-,16-/m1/s1.
What are the key properties of [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 345.44 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 [(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 94168140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).