(E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide

C16H14N2OS3 — CID 90546808

IUPAC(E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1nc(-c2cccs2)sc1CNC(=O)/C=C/c1cccs1
InChIInChI=1S/C16H14N2OS3/c1-11-14(22-16(18-11)13-5-3-9-21-13)10-17-15(19)7-6-12-4-2-8-20-12/h2-9H,10H2,1H3,(H,17,19)/b7-6+
InChIKeyYVOXMQBWKMBOMB-VOTSOKGWSA-N
MW346.50 g/mol
LogP4.57
Rot. Bonds5

About (E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 90546808) has the molecular formula C16H14N2OS3 and a molecular weight of 346.50 g/mol. Its IUPAC name is (E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID90546808
Molecular FormulaC16H14N2OS3
Molecular Weight346.50 g/mol
Exact Mass346.03
IUPAC Name(E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1nc(-c2cccs2)sc1CNC(=O)/C=C/c1cccs1
InChIInChI=1S/C16H14N2OS3/c1-11-14(22-16(18-11)13-5-3-9-21-13)10-17-15(19)7-6-12-4-2-8-20-12/h2-9H,10H2,1H3,(H,17,19)/b7-6+
InChIKeyYVOXMQBWKMBOMB-VOTSOKGWSA-N
XLogP4.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 71960575
2-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 90546705
2-acetamido-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546880
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanecarboxamide
CID 90546633
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 90546719
N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 103598251
1-(2-methylphenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 71795436
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 121122679
3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546721
1-(4-chlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 90546926
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide
CID 90546787
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-phenoxyacetamide
CID 90546642

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide (CID 90546808) is (E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide is Cc1nc(-c2cccs2)sc1CNC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is YVOXMQBWKMBOMB-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H14N2OS3/c1-11-14(22-16(18-11)13-5-3-9-21-13)10-17-15(19)7-6-12-4-2-8-20-12/h2-9H,10H2,1H3,(H,17,19)/b7-6+.
What are the key properties of (E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 346.50 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 90546808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).