(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-diphenylprop-2-enamide

C21H18N2OS — CID 6525557

IUPAC(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-diphenylprop-2-enamide
SMILESO=C(Nc1nc2c(s1)CCC2)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2OS/c24-20(23-21-22-18-12-7-13-19(18)25-21)17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-6,8-11,14H,7,12-13H2,(H,22,23,24)/b17-14+
InChIKeyQUCNDLYDZVQJDA-SAPNQHFASA-N
MW346.46 g/mol
LogP4.81
Rot. Bonds4

About (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-diphenylprop-2-enamide

(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-diphenylprop-2-enamide (PubChem CID 6525557) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-diphenylprop-2-enamide
PubChem CID6525557
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Name(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-diphenylprop-2-enamide
SMILESO=C(Nc1nc2c(s1)CCC2)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18N2OS/c24-20(23-21-22-18-12-7-13-19(18)25-21)17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-6,8-11,14H,7,12-13H2,(H,22,23,24)/b17-14+
InChIKeyQUCNDLYDZVQJDA-SAPNQHFASA-N
XLogP4.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide
CID 890524
(E)-3-(4-methoxyphenyl)-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-phenylprop-2-enamide
CID 108749807
N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 94825571
(E)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-diphenylprop-2-enamide
CID 19212134
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107025680
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632
2-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 102534467
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 3342143
3-(benzenesulfonamido)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 7541935
(E)-3-(3,4-dihydroxyphenyl)-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enamide
CID 146205566
(2R)-2-amino-4-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 87753791

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-diphenylprop-2-enamide (CID 6525557) is (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-diphenylprop-2-enamide is O=C(Nc1nc2c(s1)CCC2)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-diphenylprop-2-enamide?
The InChIKey is QUCNDLYDZVQJDA-SAPNQHFASA-N. The full InChI is InChI=1S/C21H18N2OS/c24-20(23-21-22-18-12-7-13-19(18)25-21)17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-6,8-11,14H,7,12-13H2,(H,22,23,24)/b17-14+.
What are the key properties of (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-diphenylprop-2-enamide?
(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-diphenylprop-2-enamide has a molecular weight of 346.46 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 6525557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).