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

C19H12N2O3S2 — CID 6173167

IUPAC(E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1nc(-c2cc3ccccc3oc2=O)cs1
InChIInChI=1S/C19H12N2O3S2/c22-17(8-7-13-5-3-9-25-13)21-19-20-15(11-26-19)14-10-12-4-1-2-6-16(12)24-18(14)23/h1-11H,(H,20,21,22)/b8-7+
InChIKeyYXNNNVUPSMTRPM-BQYQJAHWSA-N
MW380.45 g/mol
LogP4.63
Rot. Bonds4

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

(E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 6173167) has the molecular formula C19H12N2O3S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is (E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
PubChem CID6173167
Molecular FormulaC19H12N2O3S2
Molecular Weight380.45 g/mol
Exact Mass380.03
IUPAC Name(E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1nc(-c2cc3ccccc3oc2=O)cs1
InChIInChI=1S/C19H12N2O3S2/c22-17(8-7-13-5-3-9-25-13)21-19-20-15(11-26-19)14-10-12-4-1-2-6-16(12)24-18(14)23/h1-11H,(H,20,21,22)/b8-7+
InChIKeyYXNNNVUPSMTRPM-BQYQJAHWSA-N
XLogP4.63
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 1012057
(E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 6108158
N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 4155163
1-(3-chlorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea
CID 5146841
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 4286207
2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile
CID 2833713
2-(5-chlorothiophen-2-yl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 41340432
3-[2-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one
CID 3776365
3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one
CID 3612453
4-morpholin-4-yl-4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanamide
CID 1307730
3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one
CID 154050171
3-nitro-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 2303553

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide (CID 6173167) is (E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)Nc1nc(-c2cc3ccccc3oc2=O)cs1.
What is the InChIKey of (E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is YXNNNVUPSMTRPM-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H12N2O3S2/c22-17(8-7-13-5-3-9-25-13)21-19-20-15(11-26-19)14-10-12-4-1-2-6-16(12)24-18(14)23/h1-11H,(H,20,21,22)/b8-7+.
What are the key properties of (E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 380.45 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6173167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).