3-amino-5-(3,5-dimethylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide

C12H20N4OS — CID 103381021

IUPAC3-amino-5-(3,5-dimethylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N1CC(C)CC(C)C1
InChIInChI=1S/C12H20N4OS/c1-7-4-8(2)6-16(5-7)12-9(11(17)14-3)10(13)15-18-12/h7-8H,4-6H2,1-3H3,(H2,13,15)(H,14,17)
InChIKeyCLTFJCLHDYSBPX-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.57
Rot. Bonds2

About 3-amino-5-(3,5-dimethylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide

3-amino-5-(3,5-dimethylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103381021) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 3-amino-5-(3,5-dimethylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3,5-dimethylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103381021
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name3-amino-5-(3,5-dimethylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N1CC(C)CC(C)C1
InChIInChI=1S/C12H20N4OS/c1-7-4-8(2)6-16(5-7)12-9(11(17)14-3)10(13)15-18-12/h7-8H,4-6H2,1-3H3,(H2,13,15)(H,14,17)
InChIKeyCLTFJCLHDYSBPX-UHFFFAOYSA-N
XLogP1.57
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3,5-dimethylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(3,5-dimethylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide (CID 103381021) is 3-amino-5-(3,5-dimethylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(3,5-dimethylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(3,5-dimethylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1N1CC(C)CC(C)C1.
What is the InChIKey of 3-amino-5-(3,5-dimethylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is CLTFJCLHDYSBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-7-4-8(2)6-16(5-7)12-9(11(17)14-3)10(13)15-18-12/h7-8H,4-6H2,1-3H3,(H2,13,15)(H,14,17).
What are the key properties of 3-amino-5-(3,5-dimethylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-(3,5-dimethylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3,5-dimethylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103381021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).