(E)-3-(3-bromophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide

C15H13BrN2OS — CID 33301734

IUPAC(E)-3-(3-bromophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Br)c1)Nc1nc(C2CC2)cs1
InChIInChI=1S/C15H13BrN2OS/c16-12-3-1-2-10(8-12)4-7-14(19)18-15-17-13(9-20-15)11-5-6-11/h1-4,7-9,11H,5-6H2,(H,17,18,19)/b7-4+
InChIKeyGBBJSNDKXCUIOF-QPJJXVBHSA-N
MW349.25 g/mol
LogP4.43
Rot. Bonds4

About (E)-3-(3-bromophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide

(E)-3-(3-bromophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 33301734) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is (E)-3-(3-bromophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-bromophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID33301734
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC Name(E)-3-(3-bromophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Br)c1)Nc1nc(C2CC2)cs1
InChIInChI=1S/C15H13BrN2OS/c16-12-3-1-2-10(8-12)4-7-14(19)18-15-17-13(9-20-15)11-5-6-11/h1-4,7-9,11H,5-6H2,(H,17,18,19)/b7-4+
InChIKeyGBBJSNDKXCUIOF-QPJJXVBHSA-N
XLogP4.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-bromophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 7948149
4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 61479564
(E)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 2240886
3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 107980376
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 32869236
3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355
(E)-3-(3-bromophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)prop-2-enamide
CID 7919941
(E)-3-(3-bromophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)prop-2-enamide
CID 78927616
(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 24632450
(E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide
CID 2684563
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 4161376

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3-bromophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide (CID 33301734) is (E)-3-(3-bromophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-bromophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-bromophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide is O=C(/C=C/c1cccc(Br)c1)Nc1nc(C2CC2)cs1.
What is the InChIKey of (E)-3-(3-bromophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is GBBJSNDKXCUIOF-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H13BrN2OS/c16-12-3-1-2-10(8-12)4-7-14(19)18-15-17-13(9-20-15)11-5-6-11/h1-4,7-9,11H,5-6H2,(H,17,18,19)/b7-4+.
What are the key properties of (E)-3-(3-bromophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-(3-bromophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 349.25 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 33301734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).