1-(oxolan-2-ylmethyl)-3-(1-propyltriazol-4-yl)-1-(thiophen-3-ylmethyl)urea

C16H23N5O2S — CID 72915595

IUPAC1-(oxolan-2-ylmethyl)-3-(1-propyltriazol-4-yl)-1-(thiophen-3-ylmethyl)urea
SMILESCCCn1cc(NC(=O)N(Cc2ccsc2)CC2CCCO2)nn1
InChIInChI=1S/C16H23N5O2S/c1-2-6-21-11-15(18-19-21)17-16(22)20(9-13-5-8-24-12-13)10-14-4-3-7-23-14/h5,8,11-12,14H,2-4,6-7,9-10H2,1H3,(H,17,22)
InChIKeyGNHBTEPFWUHRSH-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.96
Rot. Bonds7

About 1-(oxolan-2-ylmethyl)-3-(1-propyltriazol-4-yl)-1-(thiophen-3-ylmethyl)urea

1-(oxolan-2-ylmethyl)-3-(1-propyltriazol-4-yl)-1-(thiophen-3-ylmethyl)urea (PubChem CID 72915595) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-(1-propyltriazol-4-yl)-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-(1-propyltriazol-4-yl)-1-(thiophen-3-ylmethyl)urea
PubChem CID72915595
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name1-(oxolan-2-ylmethyl)-3-(1-propyltriazol-4-yl)-1-(thiophen-3-ylmethyl)urea
SMILESCCCn1cc(NC(=O)N(Cc2ccsc2)CC2CCCO2)nn1
InChIInChI=1S/C16H23N5O2S/c1-2-6-21-11-15(18-19-21)17-16(22)20(9-13-5-8-24-12-13)10-14-4-3-7-23-14/h5,8,11-12,14H,2-4,6-7,9-10H2,1H3,(H,17,22)
InChIKeyGNHBTEPFWUHRSH-UHFFFAOYSA-N
XLogP2.96
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-ethoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea
CID 97456365
3-(2-ethylsulfanylphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea
CID 97436140
3-(2-ethylsulfanylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea
CID 97436139
3-(1-methyltetrazol-5-yl)sulfanyl-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)propanamide
CID 46986614
1,3-dimethyl-2,6-dioxo-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyrimidine-4-carboxamide
CID 72921658
1-[[(2S)-oxolan-2-yl]methyl]-3-(2-pyridin-4-ylethyl)-1-(thiophen-3-ylmethyl)urea
CID 126450055
N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)benzamide
CID 99940406
2-(5-aminotetrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)acetamide
CID 131909854
N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
CID 56912083
N-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 95146887
3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-3-ylmethyl)urea
CID 126453947
3-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)-1-(thiophen-3-ylmethyl)urea
CID 119074829

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-(1-propyltriazol-4-yl)-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-(1-propyltriazol-4-yl)-1-(thiophen-3-ylmethyl)urea (CID 72915595) is 1-(oxolan-2-ylmethyl)-3-(1-propyltriazol-4-yl)-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-(1-propyltriazol-4-yl)-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-(1-propyltriazol-4-yl)-1-(thiophen-3-ylmethyl)urea is CCCn1cc(NC(=O)N(Cc2ccsc2)CC2CCCO2)nn1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-(1-propyltriazol-4-yl)-1-(thiophen-3-ylmethyl)urea?
The InChIKey is GNHBTEPFWUHRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-2-6-21-11-15(18-19-21)17-16(22)20(9-13-5-8-24-12-13)10-14-4-3-7-23-14/h5,8,11-12,14H,2-4,6-7,9-10H2,1H3,(H,17,22).
What are the key properties of 1-(oxolan-2-ylmethyl)-3-(1-propyltriazol-4-yl)-1-(thiophen-3-ylmethyl)urea?
1-(oxolan-2-ylmethyl)-3-(1-propyltriazol-4-yl)-1-(thiophen-3-ylmethyl)urea has a molecular weight of 349.46 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-(1-propyltriazol-4-yl)-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 72915595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).