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

C11H19N3OS2 — CID 79581722

IUPAC[1-amino-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentyl]methanol
SMILESCc1nnc(SCCC2CCCC2(N)CO)s1
InChIInChI=1S/C11H19N3OS2/c1-8-13-14-10(17-8)16-6-4-9-3-2-5-11(9,12)7-15/h9,15H,2-7,12H2,1H3
InChIKeyWRJNUXFCCDPZMN-UHFFFAOYSA-N
MW273.43 g/mol
LogP1.82
Rot. Bonds5

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

[1-amino-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentyl]methanol (PubChem CID 79581722) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is [1-amino-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentyl]methanol
PubChem CID79581722
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name[1-amino-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentyl]methanol
SMILESCc1nnc(SCCC2CCCC2(N)CO)s1
InChIInChI=1S/C11H19N3OS2/c1-8-13-14-10(17-8)16-6-4-9-3-2-5-11(9,12)7-15/h9,15H,2-7,12H2,1H3
InChIKeyWRJNUXFCCDPZMN-UHFFFAOYSA-N
XLogP1.82
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentyl]methanol (CID 79581722) is [1-amino-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentyl]methanol is Cc1nnc(SCCC2CCCC2(N)CO)s1.
What is the InChIKey of [1-amino-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentyl]methanol?
The InChIKey is WRJNUXFCCDPZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-8-13-14-10(17-8)16-6-4-9-3-2-5-11(9,12)7-15/h9,15H,2-7,12H2,1H3.
What are the key properties of [1-amino-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentyl]methanol?
[1-amino-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentyl]methanol has a molecular weight of 273.43 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79581722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).