(E)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylprop-2-enamide

C13H14N4OS — CID 91790359

IUPAC(E)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESNc1nnc(CCNC(=O)/C=C/c2ccccc2)s1
InChIInChI=1S/C13H14N4OS/c14-13-17-16-12(19-13)8-9-15-11(18)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,14,17)(H,15,18)/b7-6+
InChIKeyHWMFCTUHAVBAOV-VOTSOKGWSA-N
MW274.35 g/mol
LogP1.49
Rot. Bonds5

About (E)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylprop-2-enamide

(E)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 91790359) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is (E)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID91790359
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name(E)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESNc1nnc(CCNC(=O)/C=C/c2ccccc2)s1
InChIInChI=1S/C13H14N4OS/c14-13-17-16-12(19-13)8-9-15-11(18)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,14,17)(H,15,18)/b7-6+
InChIKeyHWMFCTUHAVBAOV-VOTSOKGWSA-N
XLogP1.49
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-phenylprop-2-enamide
CID 171137537
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085
(E)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-fluorophenyl)prop-2-enamide
CID 18198552
(E)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 134700225
(E)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9292883
3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide
CID 108573771
(2S)-2-hydroxy-4-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 107833894
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
N-[3-[[dimethyl-[3-(3-phenylprop-2-enoylamino)propyl]silyl]oxy-dimethylsilyl]propyl]-3-phenylprop-2-enamide
CID 76676980
(E)-3-(3-amino-4-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 39384361
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylprop-2-enamide (CID 91790359) is (E)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylprop-2-enamide is Nc1nnc(CCNC(=O)/C=C/c2ccccc2)s1.
What is the InChIKey of (E)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is HWMFCTUHAVBAOV-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H14N4OS/c14-13-17-16-12(19-13)8-9-15-11(18)7-6-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,14,17)(H,15,18)/b7-6+.
What are the key properties of (E)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 274.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 91790359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).