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

C10H17N3O2S — CID 63240244

IUPAC2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
SMILESCOCCC(N)C(=O)NCCc1nccs1
InChIInChI=1S/C10H17N3O2S/c1-15-6-3-8(11)10(14)13-4-2-9-12-5-7-16-9/h5,7-8H,2-4,6,11H2,1H3,(H,13,14)
InChIKeyWUUZVTWYMJSTIN-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.17
Rot. Bonds7

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

2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide (PubChem CID 63240244) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
PubChem CID63240244
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
SMILESCOCCC(N)C(=O)NCCc1nccs1
InChIInChI=1S/C10H17N3O2S/c1-15-6-3-8(11)10(14)13-4-2-9-12-5-7-16-9/h5,7-8H,2-4,6,11H2,1H3,(H,13,14)
InChIKeyWUUZVTWYMJSTIN-UHFFFAOYSA-N
XLogP0.17
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-thiazol-2-yl-propanoate
CID 485049
N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868950
Ethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate dihydrochloride
CID 137964379
4-(acetylamino)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 86285742
2-ethoxy-2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide
CID 100031721
4-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butanamide
CID 100057946
(2S)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide
CID 125129944
methyl (3R)-3-amino-3-(1,3-thiazol-2-yl)propanoate
CID 25216257
2-[1-(1,3-thiazol-2-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115641514
Ethyl 3-amino-3-(1,3-thiazol-2-yl)propanoate
CID 115769441
N-(2-fluoroethyl)-2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]propanamide
CID 121564758
(2R)-N-(2-fluoroethyl)-2-[[(1S)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide
CID 124873559

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide?
The IUPAC name of 2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide (CID 63240244) is 2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide is COCCC(N)C(=O)NCCc1nccs1.
What is the InChIKey of 2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide?
The InChIKey is WUUZVTWYMJSTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-15-6-3-8(11)10(14)13-4-2-9-12-5-7-16-9/h5,7-8H,2-4,6,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide?
2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide has a molecular weight of 243.33 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 63240244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).