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

C13H11FN6OS — CID 16799339

IUPAC1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)Nc1cccs1
InChIInChI=1S/C13H11FN6OS/c14-9-3-5-10(6-4-9)20-11(17-18-19-20)8-15-13(21)16-12-2-1-7-22-12/h1-7H,8H2,(H2,15,16,21)
InChIKeyGYDFBTNLECVXMO-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.18
Rot. Bonds4

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

1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea (PubChem CID 16799339) has the molecular formula C13H11FN6OS and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea
PubChem CID16799339
Molecular FormulaC13H11FN6OS
Molecular Weight318.34 g/mol
Exact Mass318.07
IUPAC Name1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)Nc1cccs1
InChIInChI=1S/C13H11FN6OS/c14-9-3-5-10(6-4-9)20-11(17-18-19-20)8-15-13(21)16-12-2-1-7-22-12/h1-7H,8H2,(H2,15,16,21)
InChIKeyGYDFBTNLECVXMO-UHFFFAOYSA-N
XLogP2.18
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 859397
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2062920
2-({1-[2-(methylthio)phenyl]-1H-tetrazol-5-yl}thio)-N-(2-thienylmethyl)acetamide
CID 2224556
2-[ethyl-(1-phenyltetrazol-5-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 2566963
N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)thiophene-2-sulfonamide
CID 16799324
N-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)-2-(thiophen-2-yl)acetamide
CID 18565767
1-((1-(3-fluorophenyl)-1H-tetrazol-5-yl)methyl)-3-(thiophen-2-ylmethyl)urea
CID 18566033
4-((1-(3-fluorophenyl)-1H-tetrazol-5-yl)methyl)-N-(thiophen-2-yl)piperazine-1-carboxamide
CID 29340373
2-[(1-phenyltetrazol-5-yl)amino]-N-(thiophen-2-ylmethyl)butanamide
CID 53544114
N-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)thiophene-2-carboxamide
CID 18565774
1-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)-3-(thiophen-2-yl)urea
CID 18566088
1-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)-3-(thiophen-2-ylmethyl)urea
CID 18566100

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea (CID 16799339) is 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea is O=C(NCc1nnnn1-c1ccc(F)cc1)Nc1cccs1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea?
The InChIKey is GYDFBTNLECVXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN6OS/c14-9-3-5-10(6-4-9)20-11(17-18-19-20)8-15-13(21)16-12-2-1-7-22-12/h1-7H,8H2,(H2,15,16,21).
What are the key properties of 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea?
1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea has a molecular weight of 318.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 16799339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).