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

C12H18N4O3S — CID 62786842

IUPAC2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOCC(=O)N1CCC(NC(=O)c2csc(N)n2)CC1
InChIInChI=1S/C12H18N4O3S/c1-19-6-10(17)16-4-2-8(3-5-16)14-11(18)9-7-20-12(13)15-9/h7-8H,2-6H2,1H3,(H2,13,15)(H,14,18)
InChIKeyBHMULRJTRQBMRA-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.09
Rot. Bonds4

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

2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 62786842) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID62786842
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOCC(=O)N1CCC(NC(=O)c2csc(N)n2)CC1
InChIInChI=1S/C12H18N4O3S/c1-19-6-10(17)16-4-2-8(3-5-16)14-11(18)9-7-20-12(13)15-9/h7-8H,2-6H2,1H3,(H2,13,15)(H,14,18)
InChIKeyBHMULRJTRQBMRA-UHFFFAOYSA-N
XLogP0.09
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 62788760
6-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 106551335
2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 62789252
2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide
CID 55116012
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate
CID 113402195
[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]carbamic acid
CID 134208778
2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone
CID 43747634
methyl 1-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylate
CID 169419896
(2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977856
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpropanamide
CID 61266193
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]pyridine-4-carboxamide
CID 103754705

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 62786842) is 2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is COCC(=O)N1CCC(NC(=O)c2csc(N)n2)CC1.
What is the InChIKey of 2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is BHMULRJTRQBMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-19-6-10(17)16-4-2-8(3-5-16)14-11(18)9-7-20-12(13)15-9/h7-8H,2-6H2,1H3,(H2,13,15)(H,14,18).
What are the key properties of 2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62786842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).