[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone

C11H18N4O2S — CID 116670458

IUPAC[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCNc1nc(N)c(C(=O)N2CCOC(C)(C)C2)s1
InChIInChI=1S/C11H18N4O2S/c1-11(2)6-15(4-5-17-11)9(16)7-8(12)14-10(13-3)18-7/h4-6,12H2,1-3H3,(H,13,14)
InChIKeyBBOMHFQNUIYZFM-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.02
Rot. Bonds2

About [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone

[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 116670458) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID116670458
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCNc1nc(N)c(C(=O)N2CCOC(C)(C)C2)s1
InChIInChI=1S/C11H18N4O2S/c1-11(2)6-15(4-5-17-11)9(16)7-8(12)14-10(13-3)18-7/h4-6,12H2,1-3H3,(H,13,14)
InChIKeyBBOMHFQNUIYZFM-UHFFFAOYSA-N
XLogP1.02
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667406
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(azocan-1-yl)methanone
CID 116669119
[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone
CID 116670464
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 116662866
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 116663334
1-[4-amino-2-(ethylamino)-1,3-thiazole-5-carbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317421
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-tert-butylpyrrolidin-1-yl)methanone
CID 116672505
1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
CID 116667373
(6-amino-2-pyridinyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 55052527
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-[4-amino-2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 116671404
[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 116666691
(3-amino-5-methyl-1-benzothiophen-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107932214

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone (CID 116670458) is [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone is CNc1nc(N)c(C(=O)N2CCOC(C)(C)C2)s1.
What is the InChIKey of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is BBOMHFQNUIYZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-11(2)6-15(4-5-17-11)9(16)7-8(12)14-10(13-3)18-7/h4-6,12H2,1-3H3,(H,13,14).
What are the key properties of [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 270.36 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 116670458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).