N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C17H18N2OS3 — CID 75414487

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1cc(C(C)NC(=O)Cc2csc(-c3cccs3)n2)c(C)s1
InChIInChI=1S/C17H18N2OS3/c1-10-7-14(12(3)23-10)11(2)18-16(20)8-13-9-22-17(19-13)15-5-4-6-21-15/h4-7,9,11H,8H2,1-3H3,(H,18,20)
InChIKeyMYZCRGOGLFUAOG-UHFFFAOYSA-N
MW362.55 g/mol
LogP4.97
Rot. Bonds5

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 75414487) has the molecular formula C17H18N2OS3 and a molecular weight of 362.55 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID75414487
Molecular FormulaC17H18N2OS3
Molecular Weight362.55 g/mol
Exact Mass362.06
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1cc(C(C)NC(=O)Cc2csc(-c3cccs3)n2)c(C)s1
InChIInChI=1S/C17H18N2OS3/c1-10-7-14(12(3)23-10)11(2)18-16(20)8-13-9-22-17(19-13)15-5-4-6-21-15/h4-7,9,11H,8H2,1-3H3,(H,18,20)
InChIKeyMYZCRGOGLFUAOG-UHFFFAOYSA-N
XLogP4.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.55
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 43170823
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 86986105
N-(4-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 81048947
N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18197973
N-(1-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 43418004
N-[(2R)-2-hydroxypropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 83032506
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 134052797
(2S)-4-methyl-2-[[2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]acetyl]amino]pentanoic acid
CID 120694889
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46818167
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 46653778
N-[2-(ethylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119508736
N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 75414487) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is Cc1cc(C(C)NC(=O)Cc2csc(-c3cccs3)n2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is MYZCRGOGLFUAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS3/c1-10-7-14(12(3)23-10)11(2)18-16(20)8-13-9-22-17(19-13)15-5-4-6-21-15/h4-7,9,11H,8H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 362.55 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 75414487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).