1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone

C16H19ClN6OS — CID 9362903

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone
SMILESO=C(CSc1nnnn1C1CC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H19ClN6OS/c17-12-2-1-3-14(10-12)21-6-8-22(9-7-21)15(24)11-25-16-18-19-20-23(16)13-4-5-13/h1-3,10,13H,4-9,11H2
InChIKeyAMGHAKQMZVONGT-UHFFFAOYSA-N
MW378.89 g/mol
LogP2.10
Rot. Bonds5

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone (PubChem CID 9362903) has the molecular formula C16H19ClN6OS and a molecular weight of 378.89 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone
PubChem CID9362903
Molecular FormulaC16H19ClN6OS
Molecular Weight378.89 g/mol
Exact Mass378.10
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone
SMILESO=C(CSc1nnnn1C1CC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H19ClN6OS/c17-12-2-1-3-14(10-12)21-6-8-22(9-7-21)15(24)11-25-16-18-19-20-23(16)13-4-5-13/h1-3,10,13H,4-9,11H2
InChIKeyAMGHAKQMZVONGT-UHFFFAOYSA-N
XLogP2.10
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-(4-phenylpiperazino)-1-ethanone
CID 2810020
2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 805229
2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]sulfanyl-N,N-diethylacetamide
CID 3228990
5-({2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-ylamine
CID 980304
1-(3-chlorophenyl)-4-{[(1-methyl-1H-tetrazol-5-yl)thio]acetyl}piperazine
CID 1094261
1-[4-(4-Chlorophenyl)piperazin-1-yl]-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 1095857
2-(1-Cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 9156852
2-{[1-(3-chloro-4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-1-(piperidin-1-yl)ethanone
CID 3417194
1-[4-(3-Chlorophenyl)piperazin-1-yl]-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 8245896
2-[[4-(3-Chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 32890913
1-(2-Chlorophenyl)-3-(1-cyclopropyltetrazol-5-yl)sulfanylpyrrolidin-2-one
CID 56786446
1-(2-Chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpiperidin-2-one
CID 72000866

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone (CID 9362903) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone is O=C(CSc1nnnn1C1CC1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone?
The InChIKey is AMGHAKQMZVONGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6OS/c17-12-2-1-3-14(10-12)21-6-8-22(9-7-21)15(24)11-25-16-18-19-20-23(16)13-4-5-13/h1-3,10,13H,4-9,11H2.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone?
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone has a molecular weight of 378.89 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 9362903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).