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

C11H19N3OS2 — CID 112748849

IUPAC1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCSc1c(N)nsc1N1CCCC1CC(C)O
InChIInChI=1S/C11H19N3OS2/c1-7(15)6-8-4-3-5-14(8)11-9(16-2)10(12)13-17-11/h7-8,15H,3-6H2,1-2H3,(H2,12,13)
InChIKeyCHRXDVHILOKGON-UHFFFAOYSA-N
MW273.43 g/mol
LogP2.19
Rot. Bonds4

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

1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 112748849) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol
PubChem CID112748849
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol
SMILESCSc1c(N)nsc1N1CCCC1CC(C)O
InChIInChI=1S/C11H19N3OS2/c1-7(15)6-8-4-3-5-14(8)11-9(16-2)10(12)13-17-11/h7-8,15H,3-6H2,1-2H3,(H2,12,13)
InChIKeyCHRXDVHILOKGON-UHFFFAOYSA-N
XLogP2.19
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol (CID 112748849) is 1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol is CSc1c(N)nsc1N1CCCC1CC(C)O.
What is the InChIKey of 1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is CHRXDVHILOKGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-7(15)6-8-4-3-5-14(8)11-9(16-2)10(12)13-17-11/h7-8,15H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of 1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol?
1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 273.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 112748849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).