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

C18H14ClN3OS — CID 28865321

IUPAC(E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide
SMILESNc1nc(-c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)cs1
InChIInChI=1S/C18H14ClN3OS/c19-14-6-1-12(2-7-14)3-10-17(23)21-15-8-4-13(5-9-15)16-11-24-18(20)22-16/h1-11H,(H2,20,22)(H,21,23)/b10-3+
InChIKeyAQGRHSNHTBORSE-XCVCLJGOSA-N
MW355.85 g/mol
LogP4.70
Rot. Bonds4

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

(E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 28865321) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is (E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide
PubChem CID28865321
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC Name(E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide
SMILESNc1nc(-c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)cs1
InChIInChI=1S/C18H14ClN3OS/c19-14-6-1-12(2-7-14)3-10-17(23)21-15-8-4-13(5-9-15)16-11-24-18(20)22-16/h1-11H,(H2,20,22)(H,21,23)/b10-3+
InChIKeyAQGRHSNHTBORSE-XCVCLJGOSA-N
XLogP4.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 28865342
(E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 108770202
(E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 108748130
(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-(4-chlorophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 5139466
(E)-3-(4-chlorophenyl)-N-(4-iodophenyl)prop-2-enamide
CID 1179042
3-(4-chlorophenyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide
CID 4199760
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
(E)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 8502228

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide (CID 28865321) is (E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide is Nc1nc(-c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)cs1.
What is the InChIKey of (E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is AQGRHSNHTBORSE-XCVCLJGOSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c19-14-6-1-12(2-7-14)3-10-17(23)21-15-8-4-13(5-9-15)16-11-24-18(20)22-16/h1-11H,(H2,20,22)(H,21,23)/b10-3+.
What are the key properties of (E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide?
(E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 355.85 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 28865321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).