2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(1-phenylcyclopropyl)propan-1-one

C19H18N4O2S — CID 154838077

IUPAC2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(1-phenylcyclopropyl)propan-1-one
SMILESCC(Sc1nnnn1-c1ccc(O)cc1)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C19H18N4O2S/c1-13(17(25)19(11-12-19)14-5-3-2-4-6-14)26-18-20-21-22-23(18)15-7-9-16(24)10-8-15/h2-10,13,24H,11-12H2,1H3
InChIKeyMEXGPYJCEHQOJF-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.15
Rot. Bonds6

About 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(1-phenylcyclopropyl)propan-1-one

2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(1-phenylcyclopropyl)propan-1-one (PubChem CID 154838077) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(1-phenylcyclopropyl)propan-1-one.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(1-phenylcyclopropyl)propan-1-one
PubChem CID154838077
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(1-phenylcyclopropyl)propan-1-one
SMILESCC(Sc1nnnn1-c1ccc(O)cc1)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C19H18N4O2S/c1-13(17(25)19(11-12-19)14-5-3-2-4-6-14)26-18-20-21-22-23(18)15-7-9-16(24)10-8-15/h2-10,13,24H,11-12H2,1H3
InChIKeyMEXGPYJCEHQOJF-UHFFFAOYSA-N
XLogP3.15
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide
CID 7474072
N'-[(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanoyl]benzohydrazide
CID 8953217
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide
CID 41312485
N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 17398164
(2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7465434
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 7474000
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
ethyl (2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetate
CID 7474075
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 31372285
(2S)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 7474082
methyl 3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2-methylbutanoate
CID 79398462
N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233862

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(1-phenylcyclopropyl)propan-1-one?
The IUPAC name of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(1-phenylcyclopropyl)propan-1-one (CID 154838077) is 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(1-phenylcyclopropyl)propan-1-one.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(1-phenylcyclopropyl)propan-1-one?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(1-phenylcyclopropyl)propan-1-one is CC(Sc1nnnn1-c1ccc(O)cc1)C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(1-phenylcyclopropyl)propan-1-one?
The InChIKey is MEXGPYJCEHQOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13(17(25)19(11-12-19)14-5-3-2-4-6-14)26-18-20-21-22-23(18)15-7-9-16(24)10-8-15/h2-10,13,24H,11-12H2,1H3.
What are the key properties of 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(1-phenylcyclopropyl)propan-1-one?
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(1-phenylcyclopropyl)propan-1-one has a molecular weight of 366.45 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(1-phenylcyclopropyl)propan-1-one is sourced from PubChem (CID 154838077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).