[1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol

C11H19N3OS2 — CID 79647829

IUPAC[1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(Sc2nncs2)C1
InChIInChI=1S/C11H19N3OS2/c1-2-5-12-11(7-15)4-3-9(6-11)17-10-14-13-8-16-10/h8-9,12,15H,2-7H2,1H3
InChIKeyCAVSLRKDRPNZCK-UHFFFAOYSA-N
MW273.43 g/mol
LogP1.91
Rot. Bonds6

About [1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol

[1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol (PubChem CID 79647829) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is [1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol
PubChem CID79647829
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name[1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(Sc2nncs2)C1
InChIInChI=1S/C11H19N3OS2/c1-2-5-12-11(7-15)4-3-9(6-11)17-10-14-13-8-16-10/h8-9,12,15H,2-7H2,1H3
InChIKeyCAVSLRKDRPNZCK-UHFFFAOYSA-N
XLogP1.91
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol
CID 115384268
[3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79647604
[3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79646307
[3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(propylamino)cyclopentyl]methanol
CID 79644489
[3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79644828
[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol
CID 79640590
1-(propylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 79654184
[3-(3-methylphenyl)sulfanyl-1-(propylamino)cyclohexyl]methanol
CID 79640289
[3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol
CID 107764868
1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide
CID 79654622

Frequently Asked Questions

What is the IUPAC name of [1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol?
The IUPAC name of [1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol (CID 79647829) is [1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol.
What is the SMILES notation for [1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol?
The canonical SMILES for [1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol is CCCNC1(CO)CCC(Sc2nncs2)C1.
What is the InChIKey of [1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol?
The InChIKey is CAVSLRKDRPNZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-2-5-12-11(7-15)4-3-9(6-11)17-10-14-13-8-16-10/h8-9,12,15H,2-7H2,1H3.
What are the key properties of [1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol?
[1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol has a molecular weight of 273.43 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol is sourced from PubChem (CID 79647829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).