2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone

C17H21FN6OS — CID 9439245

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
SMILESO=C(CSc1nnnn1C1CC1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C17H21FN6OS/c18-15-4-2-1-3-13(15)11-22-7-9-23(10-8-22)16(25)12-26-17-19-20-21-24(17)14-5-6-14/h1-4,14H,5-12H2
InChIKeyGIIUARQCCAMNNP-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.58
Rot. Bonds6

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 9439245) has the molecular formula C17H21FN6OS and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
PubChem CID9439245
Molecular FormulaC17H21FN6OS
Molecular Weight376.46 g/mol
Exact Mass376.15
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
SMILESO=C(CSc1nnnn1C1CC1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C17H21FN6OS/c18-15-4-2-1-3-13(15)11-22-7-9-23(10-8-22)16(25)12-26-17-19-20-21-24(17)14-5-6-14/h1-4,14H,5-12H2
InChIKeyGIIUARQCCAMNNP-UHFFFAOYSA-N
XLogP1.58
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1332881
2-(1-Cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone
CID 9261962
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-1-(2,6-dimethyl-piperidin-1-yl)-ethanone
CID 654690
1-benzyl-4-{[(1-methyl-1H-tetrazol-5-yl)thio]acetyl}piperazine
CID 851622
N-Benzyl-2-(1-butyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 3212943
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 9505208
N-Benzyl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 649791
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-N-phenethyl-acetamide
CID 652875
N-Benzyl-2-(1-cyclohexyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1076019
2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexylacetamide
CID 1508512
1-(diphenylmethyl)-4-{[(1-methyl-1H-tetrazol-5-yl)thio]acetyl}piperazine
CID 2947461
2-(1-Cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 9156852

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone (CID 9439245) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone is O=C(CSc1nnnn1C1CC1)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is GIIUARQCCAMNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6OS/c18-15-4-2-1-3-13(15)11-22-7-9-23(10-8-22)16(25)12-26-17-19-20-21-24(17)14-5-6-14/h1-4,14H,5-12H2.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 376.46 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 9439245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).