methyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate

C11H18N4O2S — CID 103378458

IUPACmethyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1NC1CCCN(C)C1
InChIInChI=1S/C11H18N4O2S/c1-15-5-3-4-7(6-15)13-10-8(11(16)17-2)9(12)14-18-10/h7,13H,3-6H2,1-2H3,(H2,12,14)
InChIKeyVHRRXSYTGVELPM-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.02
Rot. Bonds3

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

methyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate (PubChem CID 103378458) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is methyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate
PubChem CID103378458
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Namemethyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1NC1CCCN(C)C1
InChIInChI=1S/C11H18N4O2S/c1-15-5-3-4-7(6-15)13-10-8(11(16)17-2)9(12)14-18-10/h7,13H,3-6H2,1-2H3,(H2,12,14)
InChIKeyVHRRXSYTGVELPM-UHFFFAOYSA-N
XLogP1.02
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.02
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-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate (CID 103378458) is methyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate is COC(=O)c1c(N)nsc1NC1CCCN(C)C1.
What is the InChIKey of methyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate?
The InChIKey is VHRRXSYTGVELPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-15-5-3-4-7(6-15)13-10-8(11(16)17-2)9(12)14-18-10/h7,13H,3-6H2,1-2H3,(H2,12,14).
What are the key properties of methyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate has a molecular weight of 270.36 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103378458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).