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

C12H21N3OS2 — CID 79644289

IUPAC[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(Sc2nnc(C)s2)C1
InChIInChI=1S/C12H21N3OS2/c1-3-6-13-12(8-16)5-4-10(7-12)18-11-15-14-9(2)17-11/h10,13,16H,3-8H2,1-2H3
InChIKeyUNHUTJOBBGCXEE-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.22
Rot. Bonds6

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

[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol (PubChem CID 79644289) has the molecular formula C12H21N3OS2 and a molecular weight of 287.45 g/mol. Its IUPAC name is [3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
PubChem CID79644289
Molecular FormulaC12H21N3OS2
Molecular Weight287.45 g/mol
Exact Mass287.11
IUPAC Name[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(Sc2nnc(C)s2)C1
InChIInChI=1S/C12H21N3OS2/c1-3-6-13-12(8-16)5-4-10(7-12)18-11-15-14-9(2)17-11/h10,13,16H,3-8H2,1-2H3
InChIKeyUNHUTJOBBGCXEE-UHFFFAOYSA-N
XLogP2.22
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.22
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-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]cyclohexyl]methanol
CID 79640287
[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-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol
CID 79640365
[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propylamino)cyclohexyl]methanol
CID 79640590
[3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79644828
[3-(3-methylphenyl)sulfanyl-1-(propylamino)cyclohexyl]methanol
CID 79640289
2-cyclopropylsulfanyl-5-methyl-1,3,4-thiadiazole
CID 127014892
[3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79646307
1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxamide
CID 79654481

Frequently Asked Questions

What is the IUPAC name of [3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol (CID 79644289) is [3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCC(Sc2nnc(C)s2)C1.
What is the InChIKey of [3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol?
The InChIKey is UNHUTJOBBGCXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS2/c1-3-6-13-12(8-16)5-4-10(7-12)18-11-15-14-9(2)17-11/h10,13,16H,3-8H2,1-2H3.
What are the key properties of [3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol?
[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol has a molecular weight of 287.45 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 79644289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).