2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

C19H20N6O2S — CID 2738236

IUPAC2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CSc1nnnn1-c1ccc(O)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H20N6O2S/c26-17-8-6-16(7-9-17)25-19(20-21-22-25)28-14-18(27)24-12-10-23(11-13-24)15-4-2-1-3-5-15/h1-9,26H,10-14H2
InChIKeyCWZHQHPJOJFKTL-UHFFFAOYSA-N
MW396.48 g/mol
LogP1.81
Rot. Bonds5

About 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 2738236) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID2738236
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CSc1nnnn1-c1ccc(O)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H20N6O2S/c26-17-8-6-16(7-9-17)25-19(20-21-22-25)28-14-18(27)24-12-10-23(11-13-24)15-4-2-1-3-5-15/h1-9,26H,10-14H2
InChIKeyCWZHQHPJOJFKTL-UHFFFAOYSA-N
XLogP1.81
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(1-Phenyltetrazol-5-yl)piperazin-1-yl]phenol
CID 2480492
6-Amino-5-[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2507224
7-[[1-(4-Hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2529882
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylcyclohexyl)propanamide
CID 24819888
N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 753223
N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 2097187
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1844148
1-[4-[4-(1-Phenyltetrazol-5-yl)oxyphenyl]piperazin-1-yl]ethanone
CID 2541756
2-(1-Cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 9509555
N,N-diethyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 16304484
4-[5-[[6-(Hydroxymethyl)dithiin-3-yl]methylsulfanyl]tetrazol-1-yl]phenol
CID 462643
N-(1,1-dioxothiolan-3-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 4695068

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone (CID 2738236) is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is O=C(CSc1nnnn1-c1ccc(O)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is CWZHQHPJOJFKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c26-17-8-6-16(7-9-17)25-19(20-21-22-25)28-14-18(27)24-12-10-23(11-13-24)15-4-2-1-3-5-15/h1-9,26H,10-14H2.
What are the key properties of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 396.48 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2738236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).