1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea

C10H13ClN2O2S — CID 115758267

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea
SMILESO=C(NCc1ccc(Cl)s1)NC1CCOC1
InChIInChI=1S/C10H13ClN2O2S/c11-9-2-1-8(16-9)5-12-10(14)13-7-3-4-15-6-7/h1-2,7H,3-6H2,(H2,12,13,14)
InChIKeyHEYBLADJGMNOOC-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.99
Rot. Bonds3

About 1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea

1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea (PubChem CID 115758267) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea
PubChem CID115758267
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea
SMILESO=C(NCc1ccc(Cl)s1)NC1CCOC1
InChIInChI=1S/C10H13ClN2O2S/c11-9-2-1-8(16-9)5-12-10(14)13-7-3-4-15-6-7/h1-2,7H,3-6H2,(H2,12,13,14)
InChIKeyHEYBLADJGMNOOC-UHFFFAOYSA-N
XLogP1.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea
CID 124855187
1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea
CID 115759359
(3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine
CID 126999806
1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea
CID 103839161
1-(2-chloroprop-2-enyl)-3-(oxolan-3-yl)urea
CID 115759096
2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763712
1-[(5-chlorothiophen-2-yl)methyl]-3-(3-hydroxy-1-adamantyl)urea
CID 132971584
1-(1,3-benzodioxol-5-ylmethyl)-3-(oxolan-3-yl)urea
CID 115755744
1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea
CID 47229061
1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 106370612
1-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)urea
CID 112703946
1-[(3R)-oxolan-3-yl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)urea
CID 154765265

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea (CID 115758267) is 1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea is O=C(NCc1ccc(Cl)s1)NC1CCOC1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea?
The InChIKey is HEYBLADJGMNOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c11-9-2-1-8(16-9)5-12-10(14)13-7-3-4-15-6-7/h1-2,7H,3-6H2,(H2,12,13,14).
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea?
1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea has a molecular weight of 260.75 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115758267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).