[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol

C13H23N3OS3 — CID 115384268

IUPAC[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(Sc2nnc(SC)s2)C1
InChIInChI=1S/C13H23N3OS3/c1-3-7-14-13(9-17)6-4-5-10(8-13)19-12-16-15-11(18-2)20-12/h10,14,17H,3-9H2,1-2H3
InChIKeySATKWXFAKBXOAX-UHFFFAOYSA-N
MW333.55 g/mol
LogP3.03
Rot. Bonds7

About [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol

[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol (PubChem CID 115384268) has the molecular formula C13H23N3OS3 and a molecular weight of 333.55 g/mol. Its IUPAC name is [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol
PubChem CID115384268
Molecular FormulaC13H23N3OS3
Molecular Weight333.55 g/mol
Exact Mass333.10
IUPAC Name[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(Sc2nnc(SC)s2)C1
InChIInChI=1S/C13H23N3OS3/c1-3-7-14-13(9-17)6-4-5-10(8-13)19-12-16-15-11(18-2)20-12/h10,14,17H,3-9H2,1-2H3
InChIKeySATKWXFAKBXOAX-UHFFFAOYSA-N
XLogP3.03
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.55
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
CID 115384282
[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
CID 79644289
1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylic acid
CID 115383458
[1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol
CID 79647829
[1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol
CID 79640287
[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol
CID 79640590
[3-(3-methylphenyl)sulfanyl-1-(propylamino)cyclohexyl]methanol
CID 79640289
[3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79647604
1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 113298762
1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 115383582
2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 131208793
1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
CID 115383406

Frequently Asked Questions

What is the IUPAC name of [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol?
The IUPAC name of [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol (CID 115384268) is [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol?
The canonical SMILES for [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol is CCCNC1(CO)CCCC(Sc2nnc(SC)s2)C1.
What is the InChIKey of [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol?
The InChIKey is SATKWXFAKBXOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS3/c1-3-7-14-13(9-17)6-4-5-10(8-13)19-12-16-15-11(18-2)20-12/h10,14,17H,3-9H2,1-2H3.
What are the key properties of [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol?
[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol has a molecular weight of 333.55 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol is sourced from PubChem (CID 115384268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).