2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

C12H20N4O3S2 — CID 62789252

IUPAC2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2csc(N)n2)CC1
InChIInChI=1S/C12H20N4O3S2/c1-2-7-21(18,19)16-5-3-9(4-6-16)14-11(17)10-8-20-12(13)15-10/h8-9H,2-7H2,1H3,(H2,13,15)(H,14,17)
InChIKeyFQBLGLDQBSXFOQ-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.66
Rot. Bonds5

About 2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 62789252) has the molecular formula C12H20N4O3S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID62789252
Molecular FormulaC12H20N4O3S2
Molecular Weight332.45 g/mol
Exact Mass332.10
IUPAC Name2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2csc(N)n2)CC1
InChIInChI=1S/C12H20N4O3S2/c1-2-7-21(18,19)16-5-3-9(4-6-16)14-11(17)10-8-20-12(13)15-10/h8-9H,2-7H2,1H3,(H2,13,15)(H,14,17)
InChIKeyFQBLGLDQBSXFOQ-UHFFFAOYSA-N
XLogP0.66
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 46455913
2-(2-aminoethyl)-N-(1-ethylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619837
2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 62788760
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 62786842
2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide
CID 55116012
5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
CID 78950028
6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 46456038
6-bromo-N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 103916664
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
2-(2-amino-1,3-thiazol-4-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 62799943
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (CID 62789252) is 2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is CCCS(=O)(=O)N1CCC(NC(=O)c2csc(N)n2)CC1.
What is the InChIKey of 2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is FQBLGLDQBSXFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S2/c1-2-7-21(18,19)16-5-3-9(4-6-16)14-11(17)10-8-20-12(13)15-10/h8-9H,2-7H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of 2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62789252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).