(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide

C21H14N6O2S2 — CID 55360248

IUPAC(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1
InChIInChI=1S/C21H14N6O2S2/c28-20(23-21-22-16(13-31-21)18-9-5-11-30-18)17(12-15-8-4-10-29-15)27-19(24-25-26-27)14-6-2-1-3-7-14/h1-13H,(H,22,23,28)/b17-12-
InChIKeyHXFJSYHHQLRICS-ATVHPVEESA-N
MW446.52 g/mol
LogP4.75
Rot. Bonds6

About (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide

(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 55360248) has the molecular formula C21H14N6O2S2 and a molecular weight of 446.52 g/mol. Its IUPAC name is (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID55360248
Molecular FormulaC21H14N6O2S2
Molecular Weight446.52 g/mol
Exact Mass446.06
IUPAC Name(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1
InChIInChI=1S/C21H14N6O2S2/c28-20(23-21-22-16(13-31-21)18-9-5-11-30-18)17(12-15-8-4-10-29-15)27-19(24-25-26-27)14-6-2-1-3-7-14/h1-13H,(H,22,23,28)/b17-12-
InChIKeyHXFJSYHHQLRICS-ATVHPVEESA-N
XLogP4.75
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 18285613
(Z)-3-(furan-2-yl)-N-(2-methoxyphenyl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 24661286
3-(furan-2-yl)-N-(2-methylquinolin-8-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 72685071
methyl 2-[[(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoyl]amino]benzoate
CID 24684522
(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 7363985
(2-amino-2-oxoethyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 7769582
(Z)-N-(4-chloro-3-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 55796584
methyl 2-chloro-5-[[(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoyl]amino]benzoate
CID 34164149
(Z)-N-(4-acetylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide
CID 8712824
naphthalen-1-ylmethyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 18269696
(Z)-N-(2-methoxy-5-methylphenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide
CID 7962571
2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 9421444

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide (CID 55360248) is (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide is O=C(Nc1nc(-c2cccs2)cs1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1.
What is the InChIKey of (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is HXFJSYHHQLRICS-ATVHPVEESA-N. The full InChI is InChI=1S/C21H14N6O2S2/c28-20(23-21-22-16(13-31-21)18-9-5-11-30-18)17(12-15-8-4-10-29-15)27-19(24-25-26-27)14-6-2-1-3-7-14/h1-13H,(H,22,23,28)/b17-12-.
What are the key properties of (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 446.52 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 55360248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).