1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea

C14H14N6O2S — CID 18565923

IUPAC1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea
SMILESCOc1ccc(-n2nnnc2CNC(=O)Nc2cccs2)cc1
InChIInChI=1S/C14H14N6O2S/c1-22-11-6-4-10(5-7-11)20-12(17-18-19-20)9-15-14(21)16-13-3-2-8-23-13/h2-8H,9H2,1H3,(H2,15,16,21)
InChIKeySTUPDMGBNCVVSN-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.05
Rot. Bonds5

About 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea

1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea (PubChem CID 18565923) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea
PubChem CID18565923
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC Name1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea
SMILESCOc1ccc(-n2nnnc2CNC(=O)Nc2cccs2)cc1
InChIInChI=1S/C14H14N6O2S/c1-22-11-6-4-10(5-7-11)20-12(17-18-19-20)9-15-14(21)16-13-3-2-8-23-13/h2-8H,9H2,1H3,(H2,15,16,21)
InChIKeySTUPDMGBNCVVSN-UHFFFAOYSA-N
XLogP2.05
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'tetrazole_A(1)', 'substructure': 'N/A'}

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Related Compounds

1-(4-Methoxy-phenyl)-4-[1-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 647108
N-(4-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 667193
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 1172305
N-(4-methoxyphenyl)-2-{[4-methyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 7742629
3-[1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360337
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-ethoxyphenyl)-1H-tetrazol-5-yl)methyl)-3-(thiophen-2-ylmethyl)urea
CID 18565966
N-(2-thiophen-2-ylethyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 16312121
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 16321831
N-(thiophen-2-ylmethyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 24500548
N-(thiophen-2-ylmethylcarbamoyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 26375234

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea (CID 18565923) is 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea is COc1ccc(-n2nnnc2CNC(=O)Nc2cccs2)cc1.
What is the InChIKey of 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea?
The InChIKey is STUPDMGBNCVVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-22-11-6-4-10(5-7-11)20-12(17-18-19-20)9-15-14(21)16-13-3-2-8-23-13/h2-8H,9H2,1H3,(H2,15,16,21).
What are the key properties of 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea?
1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea has a molecular weight of 330.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 18565923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).