(3-bromothiophen-2-yl)urea;hydrochloride

C5H6BrClN2OS — CID 18967926

IUPAC(3-bromothiophen-2-yl)urea;hydrochloride
SMILESCl.NC(=O)Nc1sccc1Br
InChIInChI=1S/C5H5BrN2OS.ClH/c6-3-1-2-10-4(3)8-5(7)9;/h1-2H,(H3,7,8,9);1H
InChIKeyKDRRHDOPWDOGJV-UHFFFAOYSA-N
MW257.54 g/mol
LogP2.42
Rot. Bonds1

About (3-bromothiophen-2-yl)urea;hydrochloride

(3-bromothiophen-2-yl)urea;hydrochloride (PubChem CID 18967926) has the molecular formula C5H6BrClN2OS and a molecular weight of 257.54 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)urea;hydrochloride.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)urea;hydrochloride
PubChem CID18967926
Molecular FormulaC5H6BrClN2OS
Molecular Weight257.54 g/mol
Exact Mass255.91
IUPAC Name(3-bromothiophen-2-yl)urea;hydrochloride
SMILESCl.NC(=O)Nc1sccc1Br
InChIInChI=1S/C5H5BrN2OS.ClH/c6-3-1-2-10-4(3)8-5(7)9;/h1-2H,(H3,7,8,9);1H
InChIKeyKDRRHDOPWDOGJV-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.54
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66875367
3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
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1,3-thiazol-2-ylurea;hydrochloride
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N'-(3-methylthiophen-2-yl)oxamide
CID 115191626
3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 47231538
3-bromo-N-(3-cyanothiophen-2-yl)thiophene-2-carboxamide
CID 60778072
2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide
CID 81003369
(4-bromophenyl)urea
CID 16074
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromothiophene-2-carboxamide
CID 79513810
2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carboxamide
CID 6710572
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
(E)-2-amino-3-(3-bromothiophen-2-yl)prop-2-enoic acid
CID 104830996

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)urea;hydrochloride?
The IUPAC name of (3-bromothiophen-2-yl)urea;hydrochloride (CID 18967926) is (3-bromothiophen-2-yl)urea;hydrochloride.
What is the SMILES notation for (3-bromothiophen-2-yl)urea;hydrochloride?
The canonical SMILES for (3-bromothiophen-2-yl)urea;hydrochloride is Cl.NC(=O)Nc1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)urea;hydrochloride?
The InChIKey is KDRRHDOPWDOGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2OS.ClH/c6-3-1-2-10-4(3)8-5(7)9;/h1-2H,(H3,7,8,9);1H.
What are the key properties of (3-bromothiophen-2-yl)urea;hydrochloride?
(3-bromothiophen-2-yl)urea;hydrochloride has a molecular weight of 257.54 g/mol, XLogP of 2.42, 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)urea;hydrochloride is sourced from PubChem (CID 18967926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).