(Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide

C13H11N3OS2 — CID 92527231

IUPAC(Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide
SMILESO=C(/C=C\c1ccccc1)NC(=S)Nc1nccs1
InChIInChI=1S/C13H11N3OS2/c17-11(7-6-10-4-2-1-3-5-10)15-12(18)16-13-14-8-9-19-13/h1-9H,(H2,14,15,16,17,18)/b7-6-
InChIKeyJCQMBYYUJFKIRN-SREVYHEPSA-N
MW289.39 g/mol
LogP2.67
Rot. Bonds3

About (Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide

(Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide (PubChem CID 92527231) has the molecular formula C13H11N3OS2 and a molecular weight of 289.39 g/mol. Its IUPAC name is (Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide
PubChem CID92527231
Molecular FormulaC13H11N3OS2
Molecular Weight289.39 g/mol
Exact Mass289.03
IUPAC Name(Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide
SMILESO=C(/C=C\c1ccccc1)NC(=S)Nc1nccs1
InChIInChI=1S/C13H11N3OS2/c17-11(7-6-10-4-2-1-3-5-10)15-12(18)16-13-14-8-9-19-13/h1-9H,(H2,14,15,16,17,18)/b7-6-
InChIKeyJCQMBYYUJFKIRN-SREVYHEPSA-N
XLogP2.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-nitrophenyl)-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide
CID 17187147
4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 6091158
(Z)-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-phenylprop-2-enamide
CID 2183439
N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 932766
N-(1,3-thiazol-2-ylcarbamothioyl)propanamide
CID 916869
N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylprop-2-enamide
CID 4038292
N-[(4-iodophenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 1380280
N-[(4-bromophenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 2887824
N-[(2-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 786683
(E)-N-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]-3-phenylprop-2-enamide
CID 23096846
N-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide
CID 134062092
(E)-N-[(4-iodo-3,5-dimethylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 17274609

Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide?
The IUPAC name of (Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide (CID 92527231) is (Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide?
The canonical SMILES for (Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide is O=C(/C=C\c1ccccc1)NC(=S)Nc1nccs1.
What is the InChIKey of (Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide?
The InChIKey is JCQMBYYUJFKIRN-SREVYHEPSA-N. The full InChI is InChI=1S/C13H11N3OS2/c17-11(7-6-10-4-2-1-3-5-10)15-12(18)16-13-14-8-9-19-13/h1-9H,(H2,14,15,16,17,18)/b7-6-.
What are the key properties of (Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide?
(Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide has a molecular weight of 289.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide is sourced from PubChem (CID 92527231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).