2-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol

C10H17N3OS2 — CID 103365910

IUPAC2-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol
SMILESCSc1c(N)nsc1N1CCC(CCO)C1
InChIInChI=1S/C10H17N3OS2/c1-15-8-9(11)12-16-10(8)13-4-2-7(6-13)3-5-14/h7,14H,2-6H2,1H3,(H2,11,12)
InChIKeyZSCBTHFFDXBLEN-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.66
Rot. Bonds4

About 2-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol

2-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol (PubChem CID 103365910) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol
PubChem CID103365910
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name2-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol
SMILESCSc1c(N)nsc1N1CCC(CCO)C1
InChIInChI=1S/C10H17N3OS2/c1-15-8-9(11)12-16-10(8)13-4-2-7(6-13)3-5-14/h7,14H,2-6H2,1H3,(H2,11,12)
InChIKeyZSCBTHFFDXBLEN-UHFFFAOYSA-N
XLogP1.66
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol (CID 103365910) is 2-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol is CSc1c(N)nsc1N1CCC(CCO)C1.
What is the InChIKey of 2-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is ZSCBTHFFDXBLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-15-8-9(11)12-16-10(8)13-4-2-7(6-13)3-5-14/h7,14H,2-6H2,1H3,(H2,11,12).
What are the key properties of 2-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol?
2-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 259.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 103365910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).