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

C11H14N4OS2 — CID 103349385

IUPAC1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]pyrrolidin-3-ol
SMILESCc1csc(-c2c(N)nsc2N2CCC(O)C2)n1
InChIInChI=1S/C11H14N4OS2/c1-6-5-17-10(13-6)8-9(12)14-18-11(8)15-3-2-7(16)4-15/h5,7,16H,2-4H2,1H3,(H2,12,14)
InChIKeyOYQCLIVJVGPRCW-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.73
Rot. Bonds2

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

1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]pyrrolidin-3-ol (PubChem CID 103349385) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]pyrrolidin-3-ol
PubChem CID103349385
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC Name1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]pyrrolidin-3-ol
SMILESCc1csc(-c2c(N)nsc2N2CCC(O)C2)n1
InChIInChI=1S/C11H14N4OS2/c1-6-5-17-10(13-6)8-9(12)14-18-11(8)15-3-2-7(16)4-15/h5,7,16H,2-4H2,1H3,(H2,12,14)
InChIKeyOYQCLIVJVGPRCW-UHFFFAOYSA-N
XLogP1.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]pyrrolidin-3-ol (CID 103349385) is 1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]pyrrolidin-3-ol is Cc1csc(-c2c(N)nsc2N2CCC(O)C2)n1.
What is the InChIKey of 1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is OYQCLIVJVGPRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS2/c1-6-5-17-10(13-6)8-9(12)14-18-11(8)15-3-2-7(16)4-15/h5,7,16H,2-4H2,1H3,(H2,12,14).
What are the key properties of 1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]pyrrolidin-3-ol?
1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 282.39 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 103349385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).