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

C13H18N4OS2 — CID 103349878

IUPAC1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-4-methylpiperidin-3-ol
SMILESCc1csc(-c2c(N)nsc2N2CCC(C)C(O)C2)n1
InChIInChI=1S/C13H18N4OS2/c1-7-3-4-17(5-9(7)18)13-10(11(14)16-20-13)12-15-8(2)6-19-12/h6-7,9,18H,3-5H2,1-2H3,(H2,14,16)
InChIKeyFXUFYGISCDRLLG-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.36
Rot. Bonds2

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

1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-4-methylpiperidin-3-ol (PubChem CID 103349878) has the molecular formula C13H18N4OS2 and a molecular weight of 310.45 g/mol. Its IUPAC name is 1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-4-methylpiperidin-3-ol
PubChem CID103349878
Molecular FormulaC13H18N4OS2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC Name1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-4-methylpiperidin-3-ol
SMILESCc1csc(-c2c(N)nsc2N2CCC(C)C(O)C2)n1
InChIInChI=1S/C13H18N4OS2/c1-7-3-4-17(5-9(7)18)13-10(11(14)16-20-13)12-15-8(2)6-19-12/h6-7,9,18H,3-5H2,1-2H3,(H2,14,16)
InChIKeyFXUFYGISCDRLLG-UHFFFAOYSA-N
XLogP2.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-4-methylpiperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-4-methylpiperidin-3-ol (CID 103349878) is 1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-4-methylpiperidin-3-ol is Cc1csc(-c2c(N)nsc2N2CCC(C)C(O)C2)n1.
What is the InChIKey of 1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-4-methylpiperidin-3-ol?
The InChIKey is FXUFYGISCDRLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS2/c1-7-3-4-17(5-9(7)18)13-10(11(14)16-20-13)12-15-8(2)6-19-12/h6-7,9,18H,3-5H2,1-2H3,(H2,14,16).
What are the key properties of 1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-4-methylpiperidin-3-ol?
1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-4-methylpiperidin-3-ol has a molecular weight of 310.45 g/mol, XLogP of 2.36, 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]-4-methylpiperidin-3-ol is sourced from PubChem (CID 103349878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).