(3-bromothiophen-2-yl)carbamic acid

C5H4BrNO2S — CID 66875367

IUPAC(3-bromothiophen-2-yl)carbamic acid
SMILESO=C(O)Nc1sccc1Br
InChIInChI=1S/C5H4BrNO2S/c6-3-1-2-10-4(3)7-5(8)9/h1-2,7H,(H,8,9)
InChIKeyFDFZGQOAURASNN-UHFFFAOYSA-N
MW222.06 g/mol
LogP2.60
Rot. Bonds1

About (3-bromothiophen-2-yl)carbamic acid

(3-bromothiophen-2-yl)carbamic acid (PubChem CID 66875367) has the molecular formula C5H4BrNO2S and a molecular weight of 222.06 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)carbamic acid.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)carbamic acid
PubChem CID66875367
Molecular FormulaC5H4BrNO2S
Molecular Weight222.06 g/mol
Exact Mass220.91
IUPAC Name(3-bromothiophen-2-yl)carbamic acid
SMILESO=C(O)Nc1sccc1Br
InChIInChI=1S/C5H4BrNO2S/c6-3-1-2-10-4(3)7-5(8)9/h1-2,7H,(H,8,9)
InChIKeyFDFZGQOAURASNN-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.06
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromothiophen-2-yl)urea;hydrochloride
CID 18967926
[3-[6-[2-(carboxyamino)thiophen-3-yl]hexyl]thiophen-2-yl]carbamic acid
CID 154178524
3-bromo-N-(3-cyanothiophen-2-yl)thiophene-2-carboxamide
CID 60778072
[3-(2,2-difluoro-2-phenylethyl)thiophen-2-yl]carbamic acid
CID 163833143
3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
CID 88521756
(3R)-3-acetamido-3-(3-bromothiophen-2-yl)propanoic acid
CID 115380715
2-[(4-bromobenzoyl)amino]thiophene-3-carboxylic acid
CID 16777500
3-bromothiophene-2-carbonyl chloride
CID 2797569
(2-bromophenyl)carbamic acid
CID 15021878
thiophen-2-ylcarbamic acid
CID 19432670
N'-(3-methylthiophen-2-yl)oxamide
CID 115191626
2-(2-acetamidothiophen-3-yl)acetic acid
CID 69450686

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)carbamic acid?
The IUPAC name of (3-bromothiophen-2-yl)carbamic acid (CID 66875367) is (3-bromothiophen-2-yl)carbamic acid.
What is the SMILES notation for (3-bromothiophen-2-yl)carbamic acid?
The canonical SMILES for (3-bromothiophen-2-yl)carbamic acid is O=C(O)Nc1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)carbamic acid?
The InChIKey is FDFZGQOAURASNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNO2S/c6-3-1-2-10-4(3)7-5(8)9/h1-2,7H,(H,8,9).
What are the key properties of (3-bromothiophen-2-yl)carbamic acid?
(3-bromothiophen-2-yl)carbamic acid has a molecular weight of 222.06 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)carbamic acid is sourced from PubChem (CID 66875367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).