1-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-hydroxycyclohexyl)urea

C13H19BrN2O2S — CID 110933217

IUPAC1-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-hydroxycyclohexyl)urea
SMILESO=C(NCCc1ccc(Br)s1)NC1CCCCC1O
InChIInChI=1S/C13H19BrN2O2S/c14-12-6-5-9(19-12)7-8-15-13(18)16-10-3-1-2-4-11(10)17/h5-6,10-11,17H,1-4,7-8H2,(H2,15,16,18)
InChIKeyCHZYCDODOHZXMN-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.66
Rot. Bonds4

About 1-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-hydroxycyclohexyl)urea

1-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-hydroxycyclohexyl)urea (PubChem CID 110933217) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-hydroxycyclohexyl)urea
PubChem CID110933217
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name1-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-hydroxycyclohexyl)urea
SMILESO=C(NCCc1ccc(Br)s1)NC1CCCCC1O
InChIInChI=1S/C13H19BrN2O2S/c14-12-6-5-9(19-12)7-8-15-13(18)16-10-3-1-2-4-11(10)17/h5-6,10-11,17H,1-4,7-8H2,(H2,15,16,18)
InChIKeyCHZYCDODOHZXMN-UHFFFAOYSA-N
XLogP2.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 115150875
2-[(5-bromothiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817149
5-bromo-N-(2-hydroxycyclohexyl)thiophene-2-carboxamide
CID 62360157
2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol
CID 61012171
1-[2-(5-bromothiophen-2-yl)ethyl]-3-[(2S)-2-cyclopropyl-1-hydroxypropan-2-yl]urea
CID 97227549
1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea
CID 110933231
N-[2-(5-bromothiophen-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907117
1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399173
(2R)-2-[2-(5-bromothiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 103994680
4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 103808336
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide
CID 113266074
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-hydroxycyclohexyl)urea (CID 110933217) is 1-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-hydroxycyclohexyl)urea is O=C(NCCc1ccc(Br)s1)NC1CCCCC1O.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-hydroxycyclohexyl)urea?
The InChIKey is CHZYCDODOHZXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c14-12-6-5-9(19-12)7-8-15-13(18)16-10-3-1-2-4-11(10)17/h5-6,10-11,17H,1-4,7-8H2,(H2,15,16,18).
What are the key properties of 1-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-hydroxycyclohexyl)urea?
1-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-hydroxycyclohexyl)urea has a molecular weight of 347.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-hydroxycyclohexyl)urea is sourced from PubChem (CID 110933217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).