(Z)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)prop-2-en-1-one

C17H17N7OS — CID 94657819

IUPAC(Z)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)prop-2-en-1-one
SMILESO=C(/C=C\c1nccs1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C17H17N7OS/c25-16(7-6-15-18-8-13-26-15)22-9-11-23(12-10-22)17-19-20-21-24(17)14-4-2-1-3-5-14/h1-8,13H,9-12H2/b7-6-
InChIKeyKVOMQSZUOAGOMS-SREVYHEPSA-N
MW367.44 g/mol
LogP1.48
Rot. Bonds4

About (Z)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)prop-2-en-1-one

(Z)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)prop-2-en-1-one (PubChem CID 94657819) has the molecular formula C17H17N7OS and a molecular weight of 367.44 g/mol. Its IUPAC name is (Z)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)prop-2-en-1-one
PubChem CID94657819
Molecular FormulaC17H17N7OS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC Name(Z)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)prop-2-en-1-one
SMILESO=C(/C=C\c1nccs1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C17H17N7OS/c25-16(7-6-15-18-8-13-26-15)22-9-11-23(12-10-22)17-19-20-21-24(17)14-4-2-1-3-5-14/h1-8,13H,9-12H2/b7-6-
InChIKeyKVOMQSZUOAGOMS-SREVYHEPSA-N
XLogP1.48
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

morpholin-4-yl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 17493615
(E)-1-(3-phenylpyrrolidin-1-yl)-3-(1,3-thiazol-2-yl)prop-2-en-1-one
CID 134337680
1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone
CID 55679934
(2-bromophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 2243329
1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-prop-2-enylsulfanylethanone
CID 51086980
N-(4-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
CID 134790678
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid
CID 119924398
[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone
CID 46600637
(4-bromo-3,5-dimethoxyphenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 46600708
2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55636310
(3-methyl-1,2-oxazol-5-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 43073604
1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 27306331

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)prop-2-en-1-one?
The IUPAC name of (Z)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)prop-2-en-1-one (CID 94657819) is (Z)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)prop-2-en-1-one?
The canonical SMILES for (Z)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)prop-2-en-1-one is O=C(/C=C\c1nccs1)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of (Z)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)prop-2-en-1-one?
The InChIKey is KVOMQSZUOAGOMS-SREVYHEPSA-N. The full InChI is InChI=1S/C17H17N7OS/c25-16(7-6-15-18-8-13-26-15)22-9-11-23(12-10-22)17-19-20-21-24(17)14-4-2-1-3-5-14/h1-8,13H,9-12H2/b7-6-.
What are the key properties of (Z)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)prop-2-en-1-one?
(Z)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)prop-2-en-1-one has a molecular weight of 367.44 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)prop-2-en-1-one is sourced from PubChem (CID 94657819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).