2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide

C10H17N3O2S — CID 81089104

IUPAC2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCOCC(N)C(=O)NCCc1nc(C)cs1
InChIInChI=1S/C10H17N3O2S/c1-7-6-16-9(13-7)3-4-12-10(14)8(11)5-15-2/h6,8H,3-5,11H2,1-2H3,(H,12,14)
InChIKeyOZSZALDPCKRXHN-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.08
Rot. Bonds6

About 2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide

2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 81089104) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID81089104
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCOCC(N)C(=O)NCCc1nc(C)cs1
InChIInChI=1S/C10H17N3O2S/c1-7-6-16-9(13-7)3-4-12-10(14)8(11)5-15-2/h6,8H,3-5,11H2,1-2H3,(H,12,14)
InChIKeyOZSZALDPCKRXHN-UHFFFAOYSA-N
XLogP0.08
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 95035833
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide
CID 63240116
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 63240236
2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
CID 120993978
2-amino-2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 79813428
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylacetamide
CID 55175614
2-methoxy-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 114144694
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398
3-amino-3-hydroxyimino-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 76988677
(2S,3S)-2-amino-3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide;hydrochloride
CID 154902008
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 39071901
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide (CID 81089104) is 2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide is COCC(N)C(=O)NCCc1nc(C)cs1.
What is the InChIKey of 2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is OZSZALDPCKRXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7-6-16-9(13-7)3-4-12-10(14)8(11)5-15-2/h6,8H,3-5,11H2,1-2H3,(H,12,14).
What are the key properties of 2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 243.33 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 81089104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).