3-(4-chlorophenyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide

C19H13Cl2N3OS2 — CID 4199760

IUPAC3-(4-chlorophenyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C19H13Cl2N3OS2/c20-14-6-1-12(2-7-14)3-10-17(25)23-18(26)24-19-22-16(11-27-19)13-4-8-15(21)9-5-13/h1-11H,(H2,22,23,24,25,26)
InChIKeyNERCQUWNZAXUDT-UHFFFAOYSA-N
MW434.37 g/mol
LogP5.64
Rot. Bonds4

About 3-(4-chlorophenyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide

3-(4-chlorophenyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide (PubChem CID 4199760) has the molecular formula C19H13Cl2N3OS2 and a molecular weight of 434.37 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide
PubChem CID4199760
Molecular FormulaC19H13Cl2N3OS2
Molecular Weight434.37 g/mol
Exact Mass432.99
IUPAC Name3-(4-chlorophenyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C19H13Cl2N3OS2/c20-14-6-1-12(2-7-14)3-10-17(25)23-18(26)24-19-22-16(11-27-19)13-4-8-15(21)9-5-13/h1-11H,(H2,22,23,24,25,26)
InChIKeyNERCQUWNZAXUDT-UHFFFAOYSA-N
XLogP5.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.37
LogP ≤ 55.64
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'}

Analyze 3-(4-chlorophenyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-phenylprop-2-enamide
CID 2183439
3-(4-chlorophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 5139466
(E)-3-(4-chlorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 6075904
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4657043
3-[5-(4-chlorophenyl)furan-2-yl]-N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]prop-2-enamide
CID 4288776
N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
CID 4507456
(E)-N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-(4-chlorophenyl)prop-2-enamide
CID 1343973
N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-phenylprop-2-enamide
CID 3361890
3-(4-chlorophenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4674865
3-(furan-2-yl)-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide
CID 1299086
(E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide
CID 28865321
3-(4-methoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 2790166

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide (CID 4199760) is 3-(4-chlorophenyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1)NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide?
The InChIKey is NERCQUWNZAXUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3OS2/c20-14-6-1-12(2-7-14)3-10-17(25)23-18(26)24-19-22-16(11-27-19)13-4-8-15(21)9-5-13/h1-11H,(H2,22,23,24,25,26).
What are the key properties of 3-(4-chlorophenyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide?
3-(4-chlorophenyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide has a molecular weight of 434.37 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide is sourced from PubChem (CID 4199760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).