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

C17H19N3OS — CID 34004993

IUPAC(1-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2nccs2)CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H19N3OS/c21-15(17(6-7-17)14-4-2-1-3-5-14)19-9-11-20(12-10-19)16-18-8-13-22-16/h1-5,8,13H,6-7,9-12H2
InChIKeyPOQYNZUNYRNSBR-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.52
Rot. Bonds3

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

(1-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 34004993) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is (1-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID34004993
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name(1-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2nccs2)CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H19N3OS/c21-15(17(6-7-17)14-4-2-1-3-5-14)19-9-11-20(12-10-19)16-18-8-13-22-16/h1-5,8,13H,6-7,9-12H2
InChIKeyPOQYNZUNYRNSBR-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-phenyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 111432215
(1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 24691325
N'-hydroxy-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopropane-1-carboximidamide
CID 80590607
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 126770760
(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103748970
(2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56819702
[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 71873119
[(1R,4S)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 98138309
3-fluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzoic acid
CID 62649639
5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid
CID 43414558
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51957654

Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (1-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 34004993) is (1-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is O=C(N1CCN(c2nccs2)CC1)C1(c2ccccc2)CC1.
What is the InChIKey of (1-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is POQYNZUNYRNSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c21-15(17(6-7-17)14-4-2-1-3-5-14)19-9-11-20(12-10-19)16-18-8-13-22-16/h1-5,8,13H,6-7,9-12H2.
What are the key properties of (1-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(1-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 313.43 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 34004993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).