1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea

C16H18N6O2S — CID 18565966

IUPAC1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea
SMILESCCOc1ccc(-n2nnnc2CNC(=O)NCc2cccs2)cc1
InChIInChI=1S/C16H18N6O2S/c1-2-24-13-7-5-12(6-8-13)22-15(19-20-21-22)11-18-16(23)17-10-14-4-3-9-25-14/h3-9H,2,10-11H2,1H3,(H2,17,18,23)
InChIKeyYDHHGIGBFCOFPO-UHFFFAOYSA-N
MW358.43 g/mol
LogP2.12
Rot. Bonds7

About 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea

1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 18565966) has the molecular formula C16H18N6O2S and a molecular weight of 358.43 g/mol. Its IUPAC name is 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID18565966
Molecular FormulaC16H18N6O2S
Molecular Weight358.43 g/mol
Exact Mass358.12
IUPAC Name1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea
SMILESCCOc1ccc(-n2nnnc2CNC(=O)NCc2cccs2)cc1
InChIInChI=1S/C16H18N6O2S/c1-2-24-13-7-5-12(6-8-13)22-15(19-20-21-22)11-18-16(23)17-10-14-4-3-9-25-14/h3-9H,2,10-11H2,1H3,(H2,17,18,23)
InChIKeyYDHHGIGBFCOFPO-UHFFFAOYSA-N
XLogP2.12
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-4-(4-methoxy-phenyl)-piperazine
CID 646150
1-(4-Methoxy-phenyl)-4-[1-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 647108
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 1172305
3-[1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360337
8-[[1-(4-Methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360801
N-(4-Ethoxyphenyl)-2-((4-ET-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
CID 1962490
4-ethoxy-N-{[6-(2-thienyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl}aniline
CID 16069930
2-{[4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N-(4-ethoxyphenyl)acetamide
CID 1987318
N-((1-(4-methoxyphenyl)-1H-tetrazol-5-yl)methyl)thiophene-2-carboxamide
CID 16799203
N-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)methyl)-5-ethylthiophene-2-sulfonamide
CID 18565840
1-((1-(4-methoxyphenyl)-1H-tetrazol-5-yl)methyl)-3-(thiophen-2-yl)urea
CID 18565923
1-((1-(4-ethoxyphenyl)-1H-tetrazol-5-yl)methyl)-3-(4-fluorophenyl)urea
CID 18565947

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea (CID 18565966) is 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea is CCOc1ccc(-n2nnnc2CNC(=O)NCc2cccs2)cc1.
What is the InChIKey of 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is YDHHGIGBFCOFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S/c1-2-24-13-7-5-12(6-8-13)22-15(19-20-21-22)11-18-16(23)17-10-14-4-3-9-25-14/h3-9H,2,10-11H2,1H3,(H2,17,18,23).
What are the key properties of 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 358.43 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 18565966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).