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

C18H21N3OS — CID 95582058

IUPAC[(1S,2S)-2-phenylcyclopropyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C18H21N3OS/c22-18(17-10-16(17)14-4-2-1-3-5-14)21-8-6-20(7-9-21)11-15-12-23-13-19-15/h1-5,12-13,16-17H,6-11H2/t16-,17+/m1/s1
InChIKeyWHTMPEXAIBMHKU-SJORKVTESA-N
MW327.45 g/mol
LogP2.59
Rot. Bonds4

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

[(1S,2S)-2-phenylcyclopropyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 95582058) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is [(1S,2S)-2-phenylcyclopropyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2S)-2-phenylcyclopropyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID95582058
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name[(1S,2S)-2-phenylcyclopropyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C18H21N3OS/c22-18(17-10-16(17)14-4-2-1-3-5-14)21-8-6-20(7-9-21)11-15-12-23-13-19-15/h1-5,12-13,16-17H,6-11H2/t16-,17+/m1/s1
InChIKeyWHTMPEXAIBMHKU-SJORKVTESA-N
XLogP2.59
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 35280818
N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 58933589
(2-phenylcyclopropyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 56819682
4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole
CID 51073552
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95140275
2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 56820036
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 110281141
2-(4-hydroxyphenyl)sulfanyl-1-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 164556692
(2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56819702
1-[3-phenyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]ethanone
CID 110109188
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 95588197
N-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 51125406

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-phenylcyclopropyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [(1S,2S)-2-phenylcyclopropyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone (CID 95582058) is [(1S,2S)-2-phenylcyclopropyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1S,2S)-2-phenylcyclopropyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [(1S,2S)-2-phenylcyclopropyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone is O=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(Cc2cscn2)CC1.
What is the InChIKey of [(1S,2S)-2-phenylcyclopropyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is WHTMPEXAIBMHKU-SJORKVTESA-N. The full InChI is InChI=1S/C18H21N3OS/c22-18(17-10-16(17)14-4-2-1-3-5-14)21-8-6-20(7-9-21)11-15-12-23-13-19-15/h1-5,12-13,16-17H,6-11H2/t16-,17+/m1/s1.
What are the key properties of [(1S,2S)-2-phenylcyclopropyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
[(1S,2S)-2-phenylcyclopropyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 327.45 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-phenylcyclopropyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 95582058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).