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

C18H21N3O2S — CID 95274950

IUPAC[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCOc1ccc([C@H]2C[C@@H]2C(=O)N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C18H21N3O2S/c1-23-14-4-2-13(3-5-14)15-12-16(15)17(22)20-7-9-21(10-8-20)18-19-6-11-24-18/h2-6,11,15-16H,7-10,12H2,1H3/t15-,16+/m1/s1
InChIKeyLQLFGAGOFNGCDL-CVEARBPZSA-N
MW343.45 g/mol
LogP2.60
Rot. Bonds4

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

[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 95274950) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID95274950
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCOc1ccc([C@H]2C[C@@H]2C(=O)N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C18H21N3O2S/c1-23-14-4-2-13(3-5-14)15-12-16(15)17(22)20-7-9-21(10-8-20)18-19-6-11-24-18/h2-6,11,15-16H,7-10,12H2,1H3/t15-,16+/m1/s1
InChIKeyLQLFGAGOFNGCDL-CVEARBPZSA-N
XLogP2.60
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56819702
[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 95590974
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95147947
(2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 79382749
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 94168140
[(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
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95145272
[(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 163311834
1-(4-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-ol
CID 56794621
3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 41433862
N'-[3-(4-methoxyphenoxy)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111079475
[(1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 30906845

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 95274950) is [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is COc1ccc([C@H]2C[C@@H]2C(=O)N2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is LQLFGAGOFNGCDL-CVEARBPZSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-23-14-4-2-13(3-5-14)15-12-16(15)17(22)20-7-9-21(10-8-20)18-19-6-11-24-18/h2-6,11,15-16H,7-10,12H2,1H3/t15-,16+/m1/s1.
What are the key properties of [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 343.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 95274950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).