3-amino-5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide

C12H20N4O2S — CID 103384890

IUPAC3-amino-5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide
SMILESCC1(C)CN(c2snc(N)c2C(N)=O)CC(C)(C)O1
InChIInChI=1S/C12H20N4O2S/c1-11(2)5-16(6-12(3,4)18-11)10-7(9(14)17)8(13)15-19-10/h5-6H2,1-4H3,(H2,13,15)(H2,14,17)
InChIKeyOQPPWGHVQWWDHY-UHFFFAOYSA-N
MW284.39 g/mol
LogP1.22
Rot. Bonds2

About 3-amino-5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide

3-amino-5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide (PubChem CID 103384890) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 3-amino-5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide
PubChem CID103384890
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name3-amino-5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide
SMILESCC1(C)CN(c2snc(N)c2C(N)=O)CC(C)(C)O1
InChIInChI=1S/C12H20N4O2S/c1-11(2)5-16(6-12(3,4)18-11)10-7(9(14)17)8(13)15-19-10/h5-6H2,1-4H3,(H2,13,15)(H2,14,17)
InChIKeyOQPPWGHVQWWDHY-UHFFFAOYSA-N
XLogP1.22
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxamide
CID 103381005
3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide
CID 103381043
3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380794
3-amino-5-(3,3-dimethylpyrrolidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
CID 103383454
ethyl 3-amino-5-(3,3,4-trimethylpiperazin-1-yl)-1,2-thiazole-4-carboxylate
CID 103381876
3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide
CID 103380877
3-amino-5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1,2-thiazole-4-carboxamide
CID 103381813
3-amino-5-(3-methylthiomorpholin-4-yl)-1,2-thiazole-4-carboxamide
CID 103382016
3-amino-5-(4,4-dimethylazepan-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382135
3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380843
3-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide
CID 102742749
methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103381026

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide (CID 103384890) is 3-amino-5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide is CC1(C)CN(c2snc(N)c2C(N)=O)CC(C)(C)O1.
What is the InChIKey of 3-amino-5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide?
The InChIKey is OQPPWGHVQWWDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-11(2)5-16(6-12(3,4)18-11)10-7(9(14)17)8(13)15-19-10/h5-6H2,1-4H3,(H2,13,15)(H2,14,17).
What are the key properties of 3-amino-5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide?
3-amino-5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide has a molecular weight of 284.39 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103384890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).