2-(5-chlorothiophen-2-yl)ethylcarbamic acid

C7H8ClNO2S — CID 115171101

IUPAC2-(5-chlorothiophen-2-yl)ethylcarbamic acid
SMILESO=C(O)NCCc1ccc(Cl)s1
InChIInChI=1S/C7H8ClNO2S/c8-6-2-1-5(12-6)3-4-9-7(10)11/h1-2,9H,3-4H2,(H,10,11)
InChIKeyCWKQSUSZEHRFDQ-UHFFFAOYSA-N
MW205.67 g/mol
LogP2.21
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)ethylcarbamic acid

2-(5-chlorothiophen-2-yl)ethylcarbamic acid (PubChem CID 115171101) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)ethylcarbamic acid
PubChem CID115171101
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC Name2-(5-chlorothiophen-2-yl)ethylcarbamic acid
SMILESO=C(O)NCCc1ccc(Cl)s1
InChIInChI=1S/C7H8ClNO2S/c8-6-2-1-5(12-6)3-4-9-7(10)11/h1-2,9H,3-4H2,(H,10,11)
InChIKeyCWKQSUSZEHRFDQ-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 103925944
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 103630177
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735855
2-[[2-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 106039693
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylpropanamide
CID 86996141
(3E)-3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyiminopropanamide
CID 106041277
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 114140578
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide
CID 115180056
cis-(1S,3R)-3-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114138901
cis-(1S,2R)-2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106032549

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)ethylcarbamic acid?
The IUPAC name of 2-(5-chlorothiophen-2-yl)ethylcarbamic acid (CID 115171101) is 2-(5-chlorothiophen-2-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)ethylcarbamic acid?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)ethylcarbamic acid is O=C(O)NCCc1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)ethylcarbamic acid?
The InChIKey is CWKQSUSZEHRFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c8-6-2-1-5(12-6)3-4-9-7(10)11/h1-2,9H,3-4H2,(H,10,11).
What are the key properties of 2-(5-chlorothiophen-2-yl)ethylcarbamic acid?
2-(5-chlorothiophen-2-yl)ethylcarbamic acid has a molecular weight of 205.67 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)ethylcarbamic acid is sourced from PubChem (CID 115171101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).