1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylmethoxypropan-2-ol

C13H16N2O2S2 — CID 60670961

IUPAC1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylmethoxypropan-2-ol
SMILESCc1nnc(SCC(O)COCc2ccccc2)s1
InChIInChI=1S/C13H16N2O2S2/c1-10-14-15-13(19-10)18-9-12(16)8-17-7-11-5-3-2-4-6-11/h2-6,12,16H,7-9H2,1H3
InChIKeyRNPBPHGOXOXGLQ-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.52
Rot. Bonds7

About 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylmethoxypropan-2-ol

1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylmethoxypropan-2-ol (PubChem CID 60670961) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylmethoxypropan-2-ol
PubChem CID60670961
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylmethoxypropan-2-ol
SMILESCc1nnc(SCC(O)COCc2ccccc2)s1
InChIInChI=1S/C13H16N2O2S2/c1-10-14-15-13(19-10)18-9-12(16)8-17-7-11-5-3-2-4-6-11/h2-6,12,16H,7-9H2,1H3
InChIKeyRNPBPHGOXOXGLQ-UHFFFAOYSA-N
XLogP2.52
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenylmethoxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 60670624
1-[(4-chlorophenyl)methoxy]-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
CID 18207905
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 63772082
1-benzylsulfanyl-3-phenylmethoxypropan-2-ol
CID 14948166
(1R)-1-(2,6-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
CID 95647161
1-[4-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propoxy]phenyl]propan-1-one
CID 24661190
1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 51073499
2-(benzyldisulfanyl)-5-methyl-1,3,4-thiadiazole
CID 86193876
N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 64650265
1-phenylmethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 47010267
(2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-phenylmethoxypropan-2-ol
CID 94800523
CID 172760983
CID 172760983

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylmethoxypropan-2-ol (CID 60670961) is 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylmethoxypropan-2-ol is Cc1nnc(SCC(O)COCc2ccccc2)s1.
What is the InChIKey of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylmethoxypropan-2-ol?
The InChIKey is RNPBPHGOXOXGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-10-14-15-13(19-10)18-9-12(16)8-17-7-11-5-3-2-4-6-11/h2-6,12,16H,7-9H2,1H3.
What are the key properties of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylmethoxypropan-2-ol?
1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylmethoxypropan-2-ol has a molecular weight of 296.42 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 60670961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).