(E)-3-(2,5-dichlorophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide

C16H10Cl2N4OS — CID 55810478

IUPAC(E)-3-(2,5-dichlorophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1cc(Cl)ccc1Cl)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C16H10Cl2N4OS/c17-11-5-6-12(18)10(9-11)4-7-14(23)20-16-22-21-15(24-16)13-3-1-2-8-19-13/h1-9H,(H,20,22,23)/b7-4+
InChIKeyQWFAVEFQDDXQBG-QPJJXVBHSA-N
MW377.26 g/mol
LogP4.56
Rot. Bonds4

About (E)-3-(2,5-dichlorophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide

(E)-3-(2,5-dichlorophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide (PubChem CID 55810478) has the molecular formula C16H10Cl2N4OS and a molecular weight of 377.26 g/mol. Its IUPAC name is (E)-3-(2,5-dichlorophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dichlorophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
PubChem CID55810478
Molecular FormulaC16H10Cl2N4OS
Molecular Weight377.26 g/mol
Exact Mass376.00
IUPAC Name(E)-3-(2,5-dichlorophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1cc(Cl)ccc1Cl)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C16H10Cl2N4OS/c17-11-5-6-12(18)10(9-11)4-7-14(23)20-16-22-21-15(24-16)13-3-1-2-8-19-13/h1-9H,(H,20,22,23)/b7-4+
InChIKeyQWFAVEFQDDXQBG-QPJJXVBHSA-N
XLogP4.56
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 55810604
3-[[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 98827364
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 55810227
(E)-3-(2,5-dichlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 55260405
3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide
CID 897133
7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide
CID 119855706
(E)-3-(5-chloro-2-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 47300635
3-(2,5-dichlorophenyl)-N-[2-(hydroxymethyl)phenyl]prop-2-enamide
CID 76905371
(E)-3-(2,4-dichlorophenyl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 6192126
(E)-3-(2-chlorophenyl)-N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 6478878
1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 119855704
1-(4-chlorophenyl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55807336

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dichlorophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2,5-dichlorophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide (CID 55810478) is (E)-3-(2,5-dichlorophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dichlorophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dichlorophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide is O=C(/C=C/c1cc(Cl)ccc1Cl)Nc1nnc(-c2ccccn2)s1.
What is the InChIKey of (E)-3-(2,5-dichlorophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
The InChIKey is QWFAVEFQDDXQBG-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H10Cl2N4OS/c17-11-5-6-12(18)10(9-11)4-7-14(23)20-16-22-21-15(24-16)13-3-1-2-8-19-13/h1-9H,(H,20,22,23)/b7-4+.
What are the key properties of (E)-3-(2,5-dichlorophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
(E)-3-(2,5-dichlorophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide has a molecular weight of 377.26 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dichlorophenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 55810478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).