3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]-N-ethylpropanamide

C13H23N3OS — CID 124855101

IUPAC3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCN(C)[C@H](C)c1nc(C)sc1C
InChIInChI=1S/C13H23N3OS/c1-6-14-12(17)7-8-16(5)9(2)13-10(3)18-11(4)15-13/h9H,6-8H2,1-5H3,(H,14,17)/t9-/m1/s1
InChIKeyYONOJJDSVJYXJG-SECBINFHSA-N
MW269.41 g/mol
LogP2.28
Rot. Bonds6

About 3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]-N-ethylpropanamide

3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]-N-ethylpropanamide (PubChem CID 124855101) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]-N-ethylpropanamide
PubChem CID124855101
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCN(C)[C@H](C)c1nc(C)sc1C
InChIInChI=1S/C13H23N3OS/c1-6-14-12(17)7-8-16(5)9(2)13-10(3)18-11(4)15-13/h9H,6-8H2,1-5H3,(H,14,17)/t9-/m1/s1
InChIKeyYONOJJDSVJYXJG-SECBINFHSA-N
XLogP2.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanoylamino]benzamide
CID 124758919
N-(2,3-dihydro-1H-inden-5-yl)-3-[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanamide
CID 124750744
3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 91839622
3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 124755260
N-ethyl-3-[methyl(propan-2-yl)amino]propanamide
CID 163565959
3-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]propanoic acid
CID 65058660
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-methylsulfanylpropan-1-amine
CID 99932436
N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]acetamide
CID 135119571
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide
CID 124750849
2-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]acetic acid
CID 79268255
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-propylacetamide
CID 43567206
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylacetamide
CID 43310810

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]-N-ethylpropanamide?
The IUPAC name of 3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]-N-ethylpropanamide (CID 124855101) is 3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]-N-ethylpropanamide.
What is the SMILES notation for 3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]-N-ethylpropanamide?
The canonical SMILES for 3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]-N-ethylpropanamide is CCNC(=O)CCN(C)[C@H](C)c1nc(C)sc1C.
What is the InChIKey of 3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]-N-ethylpropanamide?
The InChIKey is YONOJJDSVJYXJG-SECBINFHSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-6-14-12(17)7-8-16(5)9(2)13-10(3)18-11(4)15-13/h9H,6-8H2,1-5H3,(H,14,17)/t9-/m1/s1.
What are the key properties of 3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]-N-ethylpropanamide?
3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]-N-ethylpropanamide has a molecular weight of 269.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]-N-ethylpropanamide is sourced from PubChem (CID 124855101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).