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

C16H20N2OS2 — CID 143241813

IUPAC(E)-N-[(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-N-methylpent-2-enamide
SMILESCC/C=C/C(=O)N(C)Cc1sc(-c2cccs2)nc1CC
InChIInChI=1S/C16H20N2OS2/c1-4-6-9-15(19)18(3)11-14-12(5-2)17-16(21-14)13-8-7-10-20-13/h6-10H,4-5,11H2,1-3H3/b9-6+
InChIKeyFBCRQHMNAPFXNM-RMKNXTFCSA-N
MW320.48 g/mol
LogP4.36
Rot. Bonds6

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

(E)-N-[(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-N-methylpent-2-enamide (PubChem CID 143241813) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (E)-N-[(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-N-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-N-methylpent-2-enamide
PubChem CID143241813
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name(E)-N-[(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-N-methylpent-2-enamide
SMILESCC/C=C/C(=O)N(C)Cc1sc(-c2cccs2)nc1CC
InChIInChI=1S/C16H20N2OS2/c1-4-6-9-15(19)18(3)11-14-12(5-2)17-16(21-14)13-8-7-10-20-13/h6-10H,4-5,11H2,1-3H3/b9-6+
InChIKeyFBCRQHMNAPFXNM-RMKNXTFCSA-N
XLogP4.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
CID 82430291
4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide
CID 82430275
4-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 55602184
N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 70728476
(E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 90546808
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (E)-pent-2-enoate
CID 55517849
[1-(ethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 18199433
N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 27667865
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanecarboxamide
CID 90546633
N,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 134047298
2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 56917368
1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one
CID 118609248

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-N-methylpent-2-enamide?
The IUPAC name of (E)-N-[(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-N-methylpent-2-enamide (CID 143241813) is (E)-N-[(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-N-methylpent-2-enamide.
What is the SMILES notation for (E)-N-[(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-N-methylpent-2-enamide?
The canonical SMILES for (E)-N-[(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-N-methylpent-2-enamide is CC/C=C/C(=O)N(C)Cc1sc(-c2cccs2)nc1CC.
What is the InChIKey of (E)-N-[(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-N-methylpent-2-enamide?
The InChIKey is FBCRQHMNAPFXNM-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-4-6-9-15(19)18(3)11-14-12(5-2)17-16(21-14)13-8-7-10-20-13/h6-10H,4-5,11H2,1-3H3/b9-6+.
What are the key properties of (E)-N-[(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-N-methylpent-2-enamide?
(E)-N-[(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-N-methylpent-2-enamide has a molecular weight of 320.48 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-N-methylpent-2-enamide is sourced from PubChem (CID 143241813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).