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

C16H19FN6OS — CID 9156852

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1nnnn1C1CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H19FN6OS/c17-13-3-1-2-4-14(13)21-7-9-22(10-8-21)15(24)11-25-16-18-19-20-23(16)12-5-6-12/h1-4,12H,5-11H2
InChIKeyICWBVPGJIAGCEZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.59
Rot. Bonds5

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

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 9156852) has the molecular formula C16H19FN6OS and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID9156852
Molecular FormulaC16H19FN6OS
Molecular Weight362.43 g/mol
Exact Mass362.13
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1nnnn1C1CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H19FN6OS/c17-13-3-1-2-4-14(13)21-7-9-22(10-8-21)15(24)11-25-16-18-19-20-23(16)12-5-6-12/h1-4,12H,5-11H2
InChIKeyICWBVPGJIAGCEZ-UHFFFAOYSA-N
XLogP1.59
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-(4-phenylpiperazino)-1-ethanone
CID 2810020
N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7801887
2-[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1332881
2-{[1-(2-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4893291
2-[(1-cyclohexyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 805201
N-(4-Fluoro-phenyl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644910
2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-N-(2-morpholin-4-yl-phenyl)-acetamide
CID 645894
2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-N-(2-piperidin-1-yl-phenyl)-acetamide
CID 652811
N-cyclohexyl-N-methyl-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
CID 2999647
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-N-(4-dimethylamino-phenyl)-acetamide
CID 3212954

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (CID 9156852) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is O=C(CSc1nnnn1C1CC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is ICWBVPGJIAGCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6OS/c17-13-3-1-2-4-14(13)21-7-9-22(10-8-21)15(24)11-25-16-18-19-20-23(16)12-5-6-12/h1-4,12H,5-11H2.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 362.43 g/mol, XLogP of 1.59, 5 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)piperazin-1-yl]ethanone is sourced from PubChem (CID 9156852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).