(E)-3-(4-aminophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide

C16H13N3OS2 — CID 84560255

IUPAC(E)-3-(4-aminophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)Nc2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C16H13N3OS2/c17-12-6-3-11(4-7-12)5-8-15(20)19-16-18-13(10-22-16)14-2-1-9-21-14/h1-10H,17H2,(H,18,19,20)/b8-5+
InChIKeyFFHHFPJJHKMNOW-VMPITWQZSA-N
MW327.43 g/mol
LogP4.11
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 84560255) has the molecular formula C16H13N3OS2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID84560255
Molecular FormulaC16H13N3OS2
Molecular Weight327.43 g/mol
Exact Mass327.05
IUPAC Name(E)-3-(4-aminophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)Nc2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C16H13N3OS2/c17-12-6-3-11(4-7-12)5-8-15(20)19-16-18-13(10-22-16)14-2-1-9-21-14/h1-10H,17H2,(H,18,19,20)/b8-5+
InChIKeyFFHHFPJJHKMNOW-VMPITWQZSA-N
XLogP4.11
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 3453085
(E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 108764615
(E)-3-(4-aminophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 84560348
(E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 6108158
(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 29176160
(E)-3-(4-aminophenyl)-N-(1,3-benzothiazol-2-yl)prop-2-enamide
CID 115342690
(E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 879449
(E)-3-(4-fluorophenyl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 108766370
3-(4-methylsulfanylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5126698
2,2,3,3-tetramethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 23944638
(E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6020814
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4657043

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide (CID 84560255) is (E)-3-(4-aminophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide is Nc1ccc(/C=C/C(=O)Nc2nc(-c3cccs3)cs2)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is FFHHFPJJHKMNOW-VMPITWQZSA-N. The full InChI is InChI=1S/C16H13N3OS2/c17-12-6-3-11(4-7-12)5-8-15(20)19-16-18-13(10-22-16)14-2-1-9-21-14/h1-10H,17H2,(H,18,19,20)/b8-5+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 327.43 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 84560255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).