1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea

C15H24N2O2S — CID 111504805

IUPAC1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCCc1ccc(CNC(=O)NCC2CCCC(O)C2)s1
InChIInChI=1S/C15H24N2O2S/c1-2-13-6-7-14(20-13)10-17-15(19)16-9-11-4-3-5-12(18)8-11/h6-7,11-12,18H,2-5,8-10H2,1H3,(H2,16,17,19)
InChIKeyWDTMNIOGYVTGNF-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.66
Rot. Bonds5

About 1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea

1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea (PubChem CID 111504805) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
PubChem CID111504805
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCCc1ccc(CNC(=O)NCC2CCCC(O)C2)s1
InChIInChI=1S/C15H24N2O2S/c1-2-13-6-7-14(20-13)10-17-15(19)16-9-11-4-3-5-12(18)8-11/h6-7,11-12,18H,2-5,8-10H2,1H3,(H2,16,17,19)
InChIKeyWDTMNIOGYVTGNF-UHFFFAOYSA-N
XLogP2.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromothiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504860
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111619178
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504156
N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014093
1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea
CID 97147839
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507631
2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106005548
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504017
1-[(3-hydroxycyclohexyl)methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 111506323
1-[(3-hydroxycyclohexyl)methyl]-3-(2-phenylbutyl)urea
CID 111504109
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504897
9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986047

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea (CID 111504805) is 1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea is CCc1ccc(CNC(=O)NCC2CCCC(O)C2)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The InChIKey is WDTMNIOGYVTGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-13-6-7-14(20-13)10-17-15(19)16-9-11-4-3-5-12(18)8-11/h6-7,11-12,18H,2-5,8-10H2,1H3,(H2,16,17,19).
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea has a molecular weight of 296.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111504805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).