(2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-2-yloxypropan-2-ol

C19H21N3O2S — CID 52503254

IUPAC(2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-2-yloxypropan-2-ol
SMILESCc1nnc(SC[C@H](O)COc2ccc3ccccc3c2)n1C1CC1
InChIInChI=1S/C19H21N3O2S/c1-13-20-21-19(22(13)16-7-8-16)25-12-17(23)11-24-18-9-6-14-4-2-3-5-15(14)10-18/h2-6,9-10,16-17,23H,7-8,11-12H2,1H3/t17-/m1/s1
InChIKeyMBTICHHRUAKBMZ-QGZVFWFLSA-N
MW355.46 g/mol
LogP3.61
Rot. Bonds7

About (2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-2-yloxypropan-2-ol

(2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 52503254) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-2-yloxypropan-2-ol
PubChem CID52503254
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-2-yloxypropan-2-ol
SMILESCc1nnc(SC[C@H](O)COc2ccc3ccccc3c2)n1C1CC1
InChIInChI=1S/C19H21N3O2S/c1-13-20-21-19(22(13)16-7-8-16)25-12-17(23)11-24-18-9-6-14-4-2-3-5-15(14)10-18/h2-6,9-10,16-17,23H,7-8,11-12H2,1H3/t17-/m1/s1
InChIKeyMBTICHHRUAKBMZ-QGZVFWFLSA-N
XLogP3.61
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-2-yloxypropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-(4-chlorophenoxy)-3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 75858586
1-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-naphthalen-2-yloxypropan-2-ol
CID 46692162
1-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol
CID 24593277
(2R)-1-(4-bromophenoxy)-3-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol
CID 41250612
1-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol
CID 24597130
1-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-(3-methylphenoxy)propan-2-ol
CID 110883033
1-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-3-(4-fluorophenoxy)propan-2-ol
CID 18280457
(2R)-1-(3-methylphenoxy)-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 40661835
2-[[5-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 43018973
(2R)-3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol
CID 99855153
(2S)-1-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenoxypropan-2-ol
CID 40661866
1-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-naphthalen-2-yloxypropan-2-ol
CID 51222930

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-2-yloxypropan-2-ol (CID 52503254) is (2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-2-yloxypropan-2-ol is Cc1nnc(SC[C@H](O)COc2ccc3ccccc3c2)n1C1CC1.
What is the InChIKey of (2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is MBTICHHRUAKBMZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-20-21-19(22(13)16-7-8-16)25-12-17(23)11-24-18-9-6-14-4-2-3-5-15(14)10-18/h2-6,9-10,16-17,23H,7-8,11-12H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-2-yloxypropan-2-ol?
(2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 355.46 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 52503254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).