2-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl carbamate

C14H17N3O3S2 — CID 87791564

IUPAC2-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl carbamate
SMILESCC(=O)Nc1nc(CCc2ccc(CCOC(N)=O)s2)cs1
InChIInChI=1S/C14H17N3O3S2/c1-9(18)16-14-17-10(8-21-14)2-3-11-4-5-12(22-11)6-7-20-13(15)19/h4-5,8H,2-3,6-7H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyJFXPIZMELHIPQL-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.59
Rot. Bonds7

About 2-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl carbamate

2-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl carbamate (PubChem CID 87791564) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl carbamate.

Molecular Properties

Compound Name2-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl carbamate
PubChem CID87791564
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name2-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl carbamate
SMILESCC(=O)Nc1nc(CCc2ccc(CCOC(N)=O)s2)cs1
InChIInChI=1S/C14H17N3O3S2/c1-9(18)16-14-17-10(8-21-14)2-3-11-4-5-12(22-11)6-7-20-13(15)19/h4-5,8H,2-3,6-7H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyJFXPIZMELHIPQL-UHFFFAOYSA-N
XLogP2.59
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]propanoate
CID 86617829
3-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]-N-(diaminomethylidene)propanamide
CID 143197678
N-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide
CID 154216694
N-[4-[2-[5-[(1,3-dioxoisoindol-2-yl)methyl]thiophen-2-yl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 87743192
N-[4-[2-[4-[2-[amino(carbamoyl)amino]ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 87182634
O-methyl N-[2-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]ethyl]-N-aminocarbamothioate;hydroiodide
CID 87596945
N-[4-[2-[4-[[amino(dimethylamino)methylidene]amino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 71525142
4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
2-[5-(2-acetyloxyethyl)thiophen-2-yl]ethyl acetate
CID 175462165
2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58112072
N-[4-[2-[4-[(2-amino-2-hydrazinylideneethyl)amino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 173210099

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl carbamate?
The IUPAC name of 2-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl carbamate (CID 87791564) is 2-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl carbamate.
What is the SMILES notation for 2-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl carbamate?
The canonical SMILES for 2-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl carbamate is CC(=O)Nc1nc(CCc2ccc(CCOC(N)=O)s2)cs1.
What is the InChIKey of 2-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl carbamate?
The InChIKey is JFXPIZMELHIPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-9(18)16-14-17-10(8-21-14)2-3-11-4-5-12(22-11)6-7-20-13(15)19/h4-5,8H,2-3,6-7H2,1H3,(H2,15,19)(H,16,17,18).
What are the key properties of 2-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl carbamate?
2-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl carbamate has a molecular weight of 339.44 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]ethyl carbamate is sourced from PubChem (CID 87791564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).