[2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone

C17H20FN3OS — CID 120735469

IUPAC[2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
SMILESCCCc1ncc(C(=O)N2CCNCC2c2cccc(F)c2)s1
InChIInChI=1S/C17H20FN3OS/c1-2-4-16-20-11-15(23-16)17(22)21-8-7-19-10-14(21)12-5-3-6-13(18)9-12/h3,5-6,9,11,14,19H,2,4,7-8,10H2,1H3
InChIKeyDJJQJKCYEOWYFV-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.02
Rot. Bonds4

About [2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone

[2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone (PubChem CID 120735469) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is [2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
PubChem CID120735469
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC Name[2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
SMILESCCCc1ncc(C(=O)N2CCNCC2c2cccc(F)c2)s1
InChIInChI=1S/C17H20FN3OS/c1-2-4-16-20-11-15(23-16)17(22)21-8-7-19-10-14(21)12-5-3-6-13(18)9-12/h3,5-6,9,11,14,19H,2,4,7-8,10H2,1H3
InChIKeyDJJQJKCYEOWYFV-UHFFFAOYSA-N
XLogP3.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736069
(5-chlorothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736095
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 120878160
(3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736289
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
CID 120736543
[2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 120737504
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120736920
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
[2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 120735841
[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 120736765
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one
CID 120737939

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone (CID 120735469) is [2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone is CCCc1ncc(C(=O)N2CCNCC2c2cccc(F)c2)s1.
What is the InChIKey of [2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone?
The InChIKey is DJJQJKCYEOWYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS/c1-2-4-16-20-11-15(23-16)17(22)21-8-7-19-10-14(21)12-5-3-6-13(18)9-12/h3,5-6,9,11,14,19H,2,4,7-8,10H2,1H3.
What are the key properties of [2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone?
[2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone has a molecular weight of 333.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 120735469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).