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

C11H19N3OS2 — CID 79640287

IUPAC[1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol
SMILESCNC1(CO)CCCC(Sc2nnc(C)s2)C1
InChIInChI=1S/C11H19N3OS2/c1-8-13-14-10(16-8)17-9-4-3-5-11(6-9,7-15)12-2/h9,12,15H,3-7H2,1-2H3
InChIKeyFCGHCKIZCRXTJG-UHFFFAOYSA-N
MW273.43 g/mol
LogP1.83
Rot. Bonds4

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

[1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol (PubChem CID 79640287) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is [1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol
PubChem CID79640287
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name[1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol
SMILESCNC1(CO)CCCC(Sc2nnc(C)s2)C1
InChIInChI=1S/C11H19N3OS2/c1-8-13-14-10(16-8)17-9-4-3-5-11(6-9,7-15)12-2/h9,12,15H,3-7H2,1-2H3
InChIKeyFCGHCKIZCRXTJG-UHFFFAOYSA-N
XLogP1.83
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol
CID 79640365
[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
CID 79644289
[1-(methylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanol
CID 79640843
methyl 1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylate
CID 79634028
1-(cyclopropylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylic acid
CID 79635859
[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol
CID 115384268
1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxamide
CID 79654481
[1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylcyclohexyl]methanol
CID 79640071
[1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol
CID 79647631
2-cyclopropylsulfanyl-5-methyl-1,3,4-thiadiazole
CID 127014892
[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
CID 115384282
[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol
CID 107764753

Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol?
The IUPAC name of [1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol (CID 79640287) is [1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol.
What is the SMILES notation for [1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol?
The canonical SMILES for [1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol is CNC1(CO)CCCC(Sc2nnc(C)s2)C1.
What is the InChIKey of [1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol?
The InChIKey is FCGHCKIZCRXTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-8-13-14-10(16-8)17-9-4-3-5-11(6-9,7-15)12-2/h9,12,15H,3-7H2,1-2H3.
What are the key properties of [1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol?
[1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol has a molecular weight of 273.43 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol is sourced from PubChem (CID 79640287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).