(S)-cyclohexyl-[5-[(dimethylamino)methyl]-1,2,4-thiadiazol-3-yl]-phenylmethanol

C18H25N3OS — CID 143632916

IUPAC(S)-cyclohexyl-[5-[(dimethylamino)methyl]-1,2,4-thiadiazol-3-yl]-phenylmethanol
SMILESCN(C)Cc1nc([C@@](O)(c2ccccc2)C2CCCCC2)ns1
InChIInChI=1S/C18H25N3OS/c1-21(2)13-16-19-17(20-23-16)18(22,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15,22H,4,7-8,11-13H2,1-2H3/t18-/m1/s1
InChIKeyUJJQGYVZYNCBHA-GOSISDBHSA-N
MW331.49 g/mol
LogP3.42
Rot. Bonds5

About (S)-cyclohexyl-[5-[(dimethylamino)methyl]-1,2,4-thiadiazol-3-yl]-phenylmethanol

(S)-cyclohexyl-[5-[(dimethylamino)methyl]-1,2,4-thiadiazol-3-yl]-phenylmethanol (PubChem CID 143632916) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is (S)-cyclohexyl-[5-[(dimethylamino)methyl]-1,2,4-thiadiazol-3-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-cyclohexyl-[5-[(dimethylamino)methyl]-1,2,4-thiadiazol-3-yl]-phenylmethanol
PubChem CID143632916
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name(S)-cyclohexyl-[5-[(dimethylamino)methyl]-1,2,4-thiadiazol-3-yl]-phenylmethanol
SMILESCN(C)Cc1nc([C@@](O)(c2ccccc2)C2CCCCC2)ns1
InChIInChI=1S/C18H25N3OS/c1-21(2)13-16-19-17(20-23-16)18(22,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15,22H,4,7-8,11-13H2,1-2H3/t18-/m1/s1
InChIKeyUJJQGYVZYNCBHA-GOSISDBHSA-N
XLogP3.42
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-phenyl-(1,3-thiazol-2-yl)methanol
CID 162419779
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
cyclopentyl-[5-[[methyl(2-phenylmethoxyethyl)amino]methyl]-1,3-thiazol-2-yl]-phenylmethanol
CID 71069643
1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol
CID 19816197
1-(dimethylamino)butan-2-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 71192200
cyclohexyl-[3-(hydroxymethyl)-1,2-oxazol-5-yl]-phenylmethanol
CID 69163603
[2-(dimethylamino)cyclohexyl]-diphenylmethanol
CID 11971775
1-cyclohexyl-2,2-bis(hydroxymethyl)-1-phenylpropane-1,3-diol
CID 156850348
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
(R)-[5-[2-[2-aminoethyl(methyl)amino]ethyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanol
CID 69189545
[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-diphenylmethanol
CID 59317090
4-(dimethylamino)but-2-ynyl (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 15516893

Frequently Asked Questions

What is the IUPAC name of (S)-cyclohexyl-[5-[(dimethylamino)methyl]-1,2,4-thiadiazol-3-yl]-phenylmethanol?
The IUPAC name of (S)-cyclohexyl-[5-[(dimethylamino)methyl]-1,2,4-thiadiazol-3-yl]-phenylmethanol (CID 143632916) is (S)-cyclohexyl-[5-[(dimethylamino)methyl]-1,2,4-thiadiazol-3-yl]-phenylmethanol.
What is the SMILES notation for (S)-cyclohexyl-[5-[(dimethylamino)methyl]-1,2,4-thiadiazol-3-yl]-phenylmethanol?
The canonical SMILES for (S)-cyclohexyl-[5-[(dimethylamino)methyl]-1,2,4-thiadiazol-3-yl]-phenylmethanol is CN(C)Cc1nc([C@@](O)(c2ccccc2)C2CCCCC2)ns1.
What is the InChIKey of (S)-cyclohexyl-[5-[(dimethylamino)methyl]-1,2,4-thiadiazol-3-yl]-phenylmethanol?
The InChIKey is UJJQGYVZYNCBHA-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-21(2)13-16-19-17(20-23-16)18(22,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15,22H,4,7-8,11-13H2,1-2H3/t18-/m1/s1.
What are the key properties of (S)-cyclohexyl-[5-[(dimethylamino)methyl]-1,2,4-thiadiazol-3-yl]-phenylmethanol?
(S)-cyclohexyl-[5-[(dimethylamino)methyl]-1,2,4-thiadiazol-3-yl]-phenylmethanol has a molecular weight of 331.49 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclohexyl-[5-[(dimethylamino)methyl]-1,2,4-thiadiazol-3-yl]-phenylmethanol is sourced from PubChem (CID 143632916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).