4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide

C13H21N5O2S — CID 116669758

IUPAC4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1sc(N2CCCCC2)nc1N
InChIInChI=1S/C13H21N5O2S/c1-17(2)9(19)8-15-12(20)10-11(14)16-13(21-10)18-6-4-3-5-7-18/h3-8,14H2,1-2H3,(H,15,20)
InChIKeyQCFGPGSYBXSAGP-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.53
Rot. Bonds4

About 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116669758) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116669758
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1sc(N2CCCCC2)nc1N
InChIInChI=1S/C13H21N5O2S/c1-17(2)9(19)8-15-12(20)10-11(14)16-13(21-10)18-6-4-3-5-7-18/h3-8,14H2,1-2H3,(H,15,20)
InChIKeyQCFGPGSYBXSAGP-UHFFFAOYSA-N
XLogP0.53
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[4-(dimethylamino)butyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116665012
4-amino-N-(3-hydroxypropyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116665451
4-amino-2-(azepan-1-yl)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide
CID 116673114
4-amino-N-(2-ethoxy-2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 114944967
4-amino-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116669024
4-amino-N-(2-amino-2-oxoethyl)-2-(azepan-1-yl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669853
4-amino-N-(2-methoxyethyl)-N-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116663288
4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672281
4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116673372
4-amino-N-pent-3-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116673390
4-amino-2-(azepan-1-yl)-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide
CID 116669443
2-[(4-amino-2-pyrrolidin-1-yl-1,3-thiazole-5-carbonyl)amino]ethyl carbamate
CID 116672202

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide (CID 116669758) is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide is CN(C)C(=O)CNC(=O)c1sc(N2CCCCC2)nc1N.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is QCFGPGSYBXSAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-17(2)9(19)8-15-12(20)10-11(14)16-13(21-10)18-6-4-3-5-7-18/h3-8,14H2,1-2H3,(H,15,20).
What are the key properties of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).