3-amino-N-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide

C13H20N4O2S — CID 103380765

IUPAC3-amino-N-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide
SMILESCC1(C)COCCN1c1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C13H20N4O2S/c1-13(2)7-19-6-5-17(13)12-9(10(14)16-20-12)11(18)15-8-3-4-8/h8H,3-7H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyJEAQOTGSXBKDHZ-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.23
Rot. Bonds3

About 3-amino-N-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide

3-amino-N-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide (PubChem CID 103380765) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide
PubChem CID103380765
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name3-amino-N-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide
SMILESCC1(C)COCCN1c1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C13H20N4O2S/c1-13(2)7-19-6-5-17(13)12-9(10(14)16-20-12)11(18)15-8-3-4-8/h8H,3-7H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyJEAQOTGSXBKDHZ-UHFFFAOYSA-N
XLogP1.23
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazole-4-carboxamide
CID 103379447
5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103381010
5-(3,3-dimethylmorpholin-4-yl)-4-methyl-1,2-thiazol-3-amine
CID 103361787
3-amino-N-cyclopropyl-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380799
3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103542356
3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380603
3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide
CID 103383893
3-amino-N-cyclopropyl-5-(3-propylpyrrolidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103384031
1-cyclopropyl-3-[2-(3,3-dimethylmorpholin-4-yl)ethyl]urea
CID 167975261
3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382473
3-amino-5-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382582
3-amino-5-[cyclohexyl(methyl)amino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103381201

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide (CID 103380765) is 3-amino-N-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide is CC1(C)COCCN1c1snc(N)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide?
The InChIKey is JEAQOTGSXBKDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-13(2)7-19-6-5-17(13)12-9(10(14)16-20-12)11(18)15-8-3-4-8/h8H,3-7H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 3-amino-N-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).