[3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

C19H17N7OS2 — CID 90601690

IUPAC[3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCN(c2nc(-c3ccsc3)cs2)CC1
InChIInChI=1S/C19H17N7OS2/c27-18(14-2-1-3-16(10-14)26-13-20-22-23-26)24-5-7-25(8-6-24)19-21-17(12-29-19)15-4-9-28-11-15/h1-4,9-13H,5-8H2
InChIKeySYBWQCLUWKQZEZ-UHFFFAOYSA-N
MW423.53 g/mol
LogP2.81
Rot. Bonds4

About [3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

[3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 90601690) has the molecular formula C19H17N7OS2 and a molecular weight of 423.53 g/mol. Its IUPAC name is [3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID90601690
Molecular FormulaC19H17N7OS2
Molecular Weight423.53 g/mol
Exact Mass423.09
IUPAC Name[3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCN(c2nc(-c3ccsc3)cs2)CC1
InChIInChI=1S/C19H17N7OS2/c27-18(14-2-1-3-16(10-14)26-13-20-22-23-26)24-5-7-25(8-6-24)19-21-17(12-29-19)15-4-9-28-11-15/h1-4,9-13H,5-8H2
InChIKeySYBWQCLUWKQZEZ-UHFFFAOYSA-N
XLogP2.81
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 26519874
methyl 4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]benzoate
CID 71811056
(2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 71811046
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 122332371
(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 128927605
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 55474017
(3-fluorophenyl)-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]methanone
CID 133371062
[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-[(1R,2S)-2-thiophen-2-ylcyclopropyl]methanone
CID 51897958
(E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one
CID 71811050
[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 121060077
(3,4-difluorophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 1447469
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 32573936

Frequently Asked Questions

What is the IUPAC name of [3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 90601690) is [3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is O=C(c1cccc(-n2cnnn2)c1)N1CCN(c2nc(-c3ccsc3)cs2)CC1.
What is the InChIKey of [3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is SYBWQCLUWKQZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7OS2/c27-18(14-2-1-3-16(10-14)26-13-20-22-23-26)24-5-7-25(8-6-24)19-21-17(12-29-19)15-4-9-28-11-15/h1-4,9-13H,5-8H2.
What are the key properties of [3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 423.53 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 90601690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).