methyl 3-amino-5-(2-piperidin-1-ylpropylamino)-1,2-thiazole-4-carboxylate

C13H22N4O2S — CID 103378236

IUPACmethyl 3-amino-5-(2-piperidin-1-ylpropylamino)-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1NCC(C)N1CCCCC1
InChIInChI=1S/C13H22N4O2S/c1-9(17-6-4-3-5-7-17)8-15-12-10(13(18)19-2)11(14)16-20-12/h9,15H,3-8H2,1-2H3,(H2,14,16)
InChIKeyUBDCHNWTBUWOSE-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.80
Rot. Bonds5

About methyl 3-amino-5-(2-piperidin-1-ylpropylamino)-1,2-thiazole-4-carboxylate

methyl 3-amino-5-(2-piperidin-1-ylpropylamino)-1,2-thiazole-4-carboxylate (PubChem CID 103378236) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is methyl 3-amino-5-(2-piperidin-1-ylpropylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(2-piperidin-1-ylpropylamino)-1,2-thiazole-4-carboxylate
PubChem CID103378236
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Namemethyl 3-amino-5-(2-piperidin-1-ylpropylamino)-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1NCC(C)N1CCCCC1
InChIInChI=1S/C13H22N4O2S/c1-9(17-6-4-3-5-7-17)8-15-12-10(13(18)19-2)11(14)16-20-12/h9,15H,3-8H2,1-2H3,(H2,14,16)
InChIKeyUBDCHNWTBUWOSE-UHFFFAOYSA-N
XLogP1.80
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(2-piperidin-1-ylpropylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-(2-piperidin-1-ylpropylamino)-1,2-thiazole-4-carboxylate (CID 103378236) is methyl 3-amino-5-(2-piperidin-1-ylpropylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(2-piperidin-1-ylpropylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-(2-piperidin-1-ylpropylamino)-1,2-thiazole-4-carboxylate is COC(=O)c1c(N)nsc1NCC(C)N1CCCCC1.
What is the InChIKey of methyl 3-amino-5-(2-piperidin-1-ylpropylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is UBDCHNWTBUWOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-9(17-6-4-3-5-7-17)8-15-12-10(13(18)19-2)11(14)16-20-12/h9,15H,3-8H2,1-2H3,(H2,14,16).
What are the key properties of methyl 3-amino-5-(2-piperidin-1-ylpropylamino)-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-(2-piperidin-1-ylpropylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 298.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(2-piperidin-1-ylpropylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103378236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).