2-(4-cyanothiophen-2-yl)ethylcarbamic acid

C8H8N2O2S — CID 170166814

IUPAC2-(4-cyanothiophen-2-yl)ethylcarbamic acid
SMILESN#Cc1csc(CCNC(=O)O)c1
InChIInChI=1S/C8H8N2O2S/c9-4-6-3-7(13-5-6)1-2-10-8(11)12/h3,5,10H,1-2H2,(H,11,12)
InChIKeyAQDMSVDRJZCGOY-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.43
Rot. Bonds3

About 2-(4-cyanothiophen-2-yl)ethylcarbamic acid

2-(4-cyanothiophen-2-yl)ethylcarbamic acid (PubChem CID 170166814) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-(4-cyanothiophen-2-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(4-cyanothiophen-2-yl)ethylcarbamic acid
PubChem CID170166814
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name2-(4-cyanothiophen-2-yl)ethylcarbamic acid
SMILESN#Cc1csc(CCNC(=O)O)c1
InChIInChI=1S/C8H8N2O2S/c9-4-6-3-7(13-5-6)1-2-10-8(11)12/h3,5,10H,1-2H2,(H,11,12)
InChIKeyAQDMSVDRJZCGOY-UHFFFAOYSA-N
XLogP1.43
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Cyano-5-fluorothiophen-2-yl)methylcarbamic acid
CID 169765609
tert-butyl N-[(4-cyanothiophen-2-yl)methyl]carbamate
CID 11424930
2-Thiophen-2-ylethylcarbamic acid
CID 15106739
[1-(4-Cyanothiophen-2-yl)-2,2-dimethylpropyl]carbamic acid
CID 17958944
(5-Cyanothiophen-2-yl)methylcarbamic acid
CID 21912486
(4-Cyanothiophen-2-yl)methylcarbamic acid
CID 21912520
(3-Cyano-3-thiophen-3-ylpropyl)carbamic acid
CID 67242999
Tert-butyl-[(4-cyanothiophen-2-yl)methyl]carbamic acid
CID 69283780
2-(4-Methylthiophen-2-yl)ethylcarbamic acid
CID 121305315
Ethyl 2-(4-methylthiophen-2-yl)ethylcarbamate
CID 121315192
[1-Cyano-2-(4-methylthiophen-2-yl)ethyl]carbamic acid
CID 124092300
[(1S)-1-cyano-2-(4-methylthiophen-2-yl)ethyl]carbamic acid
CID 124092302

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanothiophen-2-yl)ethylcarbamic acid?
The IUPAC name of 2-(4-cyanothiophen-2-yl)ethylcarbamic acid (CID 170166814) is 2-(4-cyanothiophen-2-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(4-cyanothiophen-2-yl)ethylcarbamic acid?
The canonical SMILES for 2-(4-cyanothiophen-2-yl)ethylcarbamic acid is N#Cc1csc(CCNC(=O)O)c1.
What is the InChIKey of 2-(4-cyanothiophen-2-yl)ethylcarbamic acid?
The InChIKey is AQDMSVDRJZCGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c9-4-6-3-7(13-5-6)1-2-10-8(11)12/h3,5,10H,1-2H2,(H,11,12).
What are the key properties of 2-(4-cyanothiophen-2-yl)ethylcarbamic acid?
2-(4-cyanothiophen-2-yl)ethylcarbamic acid has a molecular weight of 196.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanothiophen-2-yl)ethylcarbamic acid is sourced from PubChem (CID 170166814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).