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

C14H13FN6OS — CID 18566033

IUPAC1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NCc1nnnn1-c1cccc(F)c1
InChIInChI=1S/C14H13FN6OS/c15-10-3-1-4-11(7-10)21-13(18-19-20-21)9-17-14(22)16-8-12-5-2-6-23-12/h1-7H,8-9H2,(H2,16,17,22)
InChIKeyAMIVCIWIZCUBQF-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.86
Rot. Bonds5

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

1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 18566033) has the molecular formula C14H13FN6OS and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID18566033
Molecular FormulaC14H13FN6OS
Molecular Weight332.36 g/mol
Exact Mass332.09
IUPAC Name1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NCc1nnnn1-c1cccc(F)c1
InChIInChI=1S/C14H13FN6OS/c15-10-3-1-4-11(7-10)21-13(18-19-20-21)9-17-14(22)16-8-12-5-2-6-23-12/h1-7H,8-9H2,(H2,16,17,22)
InChIKeyAMIVCIWIZCUBQF-UHFFFAOYSA-N
XLogP1.86
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.86
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
1-Phenyl-N*3*-thiophen-2-ylmethyl-1H-[1,2,4]triazole-3,5-diamine
CID 651954
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
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-(4-chlorophenyl)-1H-tetrazol-5-yl)methyl)-2-(thiophen-2-yl)acetamide
CID 16799256
1-(4-Fluorophenyl)-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 1447768
1-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)-3-(thiophen-2-yl)urea
CID 16799339

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea (CID 18566033) is 1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)NCc1nnnn1-c1cccc(F)c1.
What is the InChIKey of 1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is AMIVCIWIZCUBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6OS/c15-10-3-1-4-11(7-10)21-13(18-19-20-21)9-17-14(22)16-8-12-5-2-6-23-12/h1-7H,8-9H2,(H2,16,17,22).
What are the key properties of 1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea?
1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 332.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 18566033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).