5-[(1S)-1-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyltetrazole

C14H14N4OS — CID 124506400

IUPAC5-[(1S)-1-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyltetrazole
SMILESC[C@H](SCc1ccco1)c1nnnn1-c1ccccc1
InChIInChI=1S/C14H14N4OS/c1-11(20-10-13-8-5-9-19-13)14-15-16-17-18(14)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3/t11-/m0/s1
InChIKeyXRNQDMRCPSZPBQ-NSHDSACASA-N
MW286.36 g/mol
LogP3.25
Rot. Bonds5

About 5-[(1S)-1-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyltetrazole

5-[(1S)-1-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyltetrazole (PubChem CID 124506400) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-[(1S)-1-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[(1S)-1-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyltetrazole
PubChem CID124506400
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name5-[(1S)-1-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyltetrazole
SMILESC[C@H](SCc1ccco1)c1nnnn1-c1ccccc1
InChIInChI=1S/C14H14N4OS/c1-11(20-10-13-8-5-9-19-13)14-15-16-17-18(14)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3/t11-/m0/s1
InChIKeyXRNQDMRCPSZPBQ-NSHDSACASA-N
XLogP3.25
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-phenyl-2-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]sulfanylethanol
CID 94824821
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
2-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3-benzoxazole
CID 46435086
5-(1-methylsulfonylethyl)-1-phenyltetrazole
CID 47226147
furan-2-ylmethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 7248517
3-(1-phenyltetrazol-5-yl)pentan-2-ol
CID 63201375
N-ethyl-3-(1-phenyltetrazol-5-yl)butan-2-amine
CID 63199558
5-[[4-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenyltetrazole
CID 78812232
3-butyl-5-[1-(furan-2-ylmethylsulfanyl)ethyl]-1,2,4-oxadiazole
CID 78848034
(1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 7767880
1-phenyltetrazole-5-selenol
CID 173399228
N,4-dimethyl-3-(1-phenyltetrazol-5-yl)pentan-2-amine
CID 63197921

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyltetrazole?
The IUPAC name of 5-[(1S)-1-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyltetrazole (CID 124506400) is 5-[(1S)-1-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[(1S)-1-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyltetrazole?
The canonical SMILES for 5-[(1S)-1-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyltetrazole is C[C@H](SCc1ccco1)c1nnnn1-c1ccccc1.
What is the InChIKey of 5-[(1S)-1-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyltetrazole?
The InChIKey is XRNQDMRCPSZPBQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H14N4OS/c1-11(20-10-13-8-5-9-19-13)14-15-16-17-18(14)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3/t11-/m0/s1.
What are the key properties of 5-[(1S)-1-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyltetrazole?
5-[(1S)-1-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyltetrazole has a molecular weight of 286.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyltetrazole is sourced from PubChem (CID 124506400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).