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

C12H21N3OS3 — CID 115384282

IUPAC[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(Sc2nnc(SC)s2)C1
InChIInChI=1S/C12H21N3OS3/c1-3-6-13-12(8-16)5-4-9(7-12)18-11-15-14-10(17-2)19-11/h9,13,16H,3-8H2,1-2H3
InChIKeyBFAFFQJXTUJLOS-UHFFFAOYSA-N
MW319.52 g/mol
LogP2.64
Rot. Bonds7

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

[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol (PubChem CID 115384282) has the molecular formula C12H21N3OS3 and a molecular weight of 319.52 g/mol. Its IUPAC name is [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
PubChem CID115384282
Molecular FormulaC12H21N3OS3
Molecular Weight319.52 g/mol
Exact Mass319.08
IUPAC Name[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(Sc2nnc(SC)s2)C1
InChIInChI=1S/C12H21N3OS3/c1-3-6-13-12(8-16)5-4-9(7-12)18-11-15-14-10(17-2)19-11/h9,13,16H,3-8H2,1-2H3
InChIKeyBFAFFQJXTUJLOS-UHFFFAOYSA-N
XLogP2.64
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol with MolForge

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Related Compounds

[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol
CID 115384268
[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
CID 79644289
[1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol
CID 79647829
[3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79647604
1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylic acid
CID 115383458
1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
CID 115383406
[3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79644828
[1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol
CID 79640287
1-(cyclopropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 115383599
[3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79646307
[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol
CID 79640590
[3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(propylamino)cyclopentyl]methanol
CID 79644489

Frequently Asked Questions

What is the IUPAC name of [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol (CID 115384282) is [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCC(Sc2nnc(SC)s2)C1.
What is the InChIKey of [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol?
The InChIKey is BFAFFQJXTUJLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS3/c1-3-6-13-12(8-16)5-4-9(7-12)18-11-15-14-10(17-2)19-11/h9,13,16H,3-8H2,1-2H3.
What are the key properties of [3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol?
[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol has a molecular weight of 319.52 g/mol, XLogP of 2.64, 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)cyclopentyl]methanol is sourced from PubChem (CID 115384282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).