4-amino-2-(4-methylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide

C13H22N4OS — CID 98461507

IUPAC4-amino-2-(4-methylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(N2CCC(C)CC2)nc1N
InChIInChI=1S/C13H22N4OS/c1-3-6-15-12(18)10-11(14)16-13(19-10)17-7-4-9(2)5-8-17/h9H,3-8,14H2,1-2H3,(H,15,18)
InChIKeyRMZKOMRECWQPCF-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.10
Rot. Bonds4

About 4-amino-2-(4-methylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide

4-amino-2-(4-methylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 98461507) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-amino-2-(4-methylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4-methylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID98461507
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name4-amino-2-(4-methylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(N2CCC(C)CC2)nc1N
InChIInChI=1S/C13H22N4OS/c1-3-6-15-12(18)10-11(14)16-13(19-10)17-7-4-9(2)5-8-17/h9H,3-8,14H2,1-2H3,(H,15,18)
InChIKeyRMZKOMRECWQPCF-UHFFFAOYSA-N
XLogP2.10
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-methylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(4-methylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide (CID 98461507) is 4-amino-2-(4-methylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(4-methylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(4-methylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1sc(N2CCC(C)CC2)nc1N.
What is the InChIKey of 4-amino-2-(4-methylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is RMZKOMRECWQPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-3-6-15-12(18)10-11(14)16-13(19-10)17-7-4-9(2)5-8-17/h9H,3-8,14H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-2-(4-methylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide?
4-amino-2-(4-methylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 98461507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).