[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-ethylmorpholin-4-yl)methanone

C13H22N4O2S — CID 116670210

IUPAC[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2sc(N(C)CC)nc2N)CCO1
InChIInChI=1S/C13H22N4O2S/c1-4-9-8-17(6-7-19-9)12(18)10-11(14)15-13(20-10)16(3)5-2/h9H,4-8,14H2,1-3H3
InChIKeyIRWNKBSPWIGNKL-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.43
Rot. Bonds4

About [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-ethylmorpholin-4-yl)methanone

[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-ethylmorpholin-4-yl)methanone (PubChem CID 116670210) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-ethylmorpholin-4-yl)methanone
PubChem CID116670210
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2sc(N(C)CC)nc2N)CCO1
InChIInChI=1S/C13H22N4O2S/c1-4-9-8-17(6-7-19-9)12(18)10-11(14)15-13(20-10)16(3)5-2/h9H,4-8,14H2,1-3H3
InChIKeyIRWNKBSPWIGNKL-UHFFFAOYSA-N
XLogP1.43
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 116665720
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(1,4-oxazepan-4-yl)methanone
CID 116665736
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106674692
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 116670407
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-ethylazepan-1-yl)methanone
CID 116666847
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107229399
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(3-ethylmorpholin-4-yl)methanone
CID 116670502
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(4-propylpiperazin-1-yl)methanone
CID 116663215
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 116673581
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 116665893
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107460347
[4-amino-2-[methyl(propyl)amino]-1,3-thiazol-5-yl]-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 116670981

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-ethylmorpholin-4-yl)methanone?
The IUPAC name of [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-ethylmorpholin-4-yl)methanone (CID 116670210) is [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-ethylmorpholin-4-yl)methanone?
The canonical SMILES for [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-ethylmorpholin-4-yl)methanone is CCC1CN(C(=O)c2sc(N(C)CC)nc2N)CCO1.
What is the InChIKey of [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-ethylmorpholin-4-yl)methanone?
The InChIKey is IRWNKBSPWIGNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-4-9-8-17(6-7-19-9)12(18)10-11(14)15-13(20-10)16(3)5-2/h9H,4-8,14H2,1-3H3.
What are the key properties of [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-ethylmorpholin-4-yl)methanone?
[4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-ethylmorpholin-4-yl)methanone has a molecular weight of 298.41 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]-(2-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 116670210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).