(E)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-thiophen-2-ylprop-2-enamide

C17H14N2OS2 — CID 30859343

IUPAC(E)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1nc(-c2cccc(NC(=O)/C=C/c3cccs3)c2)cs1
InChIInChI=1S/C17H14N2OS2/c1-12-18-16(11-22-12)13-4-2-5-14(10-13)19-17(20)8-7-15-6-3-9-21-15/h2-11H,1H3,(H,19,20)/b8-7+
InChIKeyRBCUQYSOTYXXAM-BQYQJAHWSA-N
MW326.45 g/mol
LogP4.83
Rot. Bonds4

About (E)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 30859343) has the molecular formula C17H14N2OS2 and a molecular weight of 326.45 g/mol. Its IUPAC name is (E)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID30859343
Molecular FormulaC17H14N2OS2
Molecular Weight326.45 g/mol
Exact Mass326.05
IUPAC Name(E)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1nc(-c2cccc(NC(=O)/C=C/c3cccs3)c2)cs1
InChIInChI=1S/C17H14N2OS2/c1-12-18-16(11-22-12)13-4-2-5-14(10-13)19-17(20)8-7-15-6-3-9-21-15/h2-11H,1H3,(H,19,20)/b8-7+
InChIKeyRBCUQYSOTYXXAM-BQYQJAHWSA-N
XLogP4.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chlorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 122286007
2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 55359336
(E)-N-(3-chlorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922964
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 1012057
2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 43699209
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 121084039
N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
CID 3594199
5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 107908820
(E)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-3-phenylprop-2-enamide;hydrochloride
CID 163326029

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-thiophen-2-ylprop-2-enamide (CID 30859343) is (E)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-thiophen-2-ylprop-2-enamide is Cc1nc(-c2cccc(NC(=O)/C=C/c3cccs3)c2)cs1.
What is the InChIKey of (E)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is RBCUQYSOTYXXAM-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H14N2OS2/c1-12-18-16(11-22-12)13-4-2-5-14(10-13)19-17(20)8-7-15-6-3-9-21-15/h2-11H,1H3,(H,19,20)/b8-7+.
What are the key properties of (E)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 326.45 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 30859343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).