N-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide

C11H12N2OS2 — CID 154216694

IUPACN-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CCc2cccs2)cs1
InChIInChI=1S/C11H12N2OS2/c1-8(14)12-11-13-9(7-16-11)4-5-10-3-2-6-15-10/h2-3,6-7H,4-5H2,1H3,(H,12,13,14)
InChIKeyOCBFSCKGBCQVAW-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.95
Rot. Bonds4

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

N-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 154216694) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID154216694
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC NameN-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CCc2cccs2)cs1
InChIInChI=1S/C11H12N2OS2/c1-8(14)12-11-13-9(7-16-11)4-5-10-3-2-6-15-10/h2-3,6-7H,4-5H2,1H3,(H,12,13,14)
InChIKeyOCBFSCKGBCQVAW-UHFFFAOYSA-N
XLogP2.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]propanoate
CID 86617829
2-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl carbamate
CID 87791564
N-[4-[2-[5-[(1,3-dioxoisoindol-2-yl)methyl]thiophen-2-yl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 87743192
4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385
3-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]-N-(diaminomethylidene)propanamide
CID 143197678
N-[4-[2-[4-[2-[amino(carbamoyl)amino]ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 87182634
N-[4-[2-[4-(2,2,3,4,4-pentamethylpentan-3-yl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 173162018
N-[4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 35705578
methyl N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamate
CID 16883763
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 30186300
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962610
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 47263059

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide (CID 154216694) is N-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CCc2cccs2)cs1.
What is the InChIKey of N-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is OCBFSCKGBCQVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-8(14)12-11-13-9(7-16-11)4-5-10-3-2-6-15-10/h2-3,6-7H,4-5H2,1H3,(H,12,13,14).
What are the key properties of N-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 252.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 154216694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).