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

C9H15N3O2S — CID 106112900

IUPAC3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
SMILESCOC(CN)C(=O)NCCc1cscn1
InChIInChI=1S/C9H15N3O2S/c1-14-8(4-10)9(13)11-3-2-7-5-15-6-12-7/h5-6,8H,2-4,10H2,1H3,(H,11,13)
InChIKeyDRKSHNLIXNSDGI-UHFFFAOYSA-N
MW229.30 g/mol
LogP-0.22
Rot. Bonds6

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

3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 106112900) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID106112900
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
SMILESCOC(CN)C(=O)NCCc1cscn1
InChIInChI=1S/C9H15N3O2S/c1-14-8(4-10)9(13)11-3-2-7-5-15-6-12-7/h5-6,8H,2-4,10H2,1H3,(H,11,13)
InChIKeyDRKSHNLIXNSDGI-UHFFFAOYSA-N
XLogP-0.22
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide
CID 82688020
2-carbamothioyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 63826075
methyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate
CID 124604358
2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 115432547
3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 65266866
3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106112977
2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 115290732
2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 79281124
3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284873
methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride
CID 70073965
3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 63826251
2-methoxy-3-(1,3-thiazol-4-ylmethylcarbamoylamino)propanoic acid
CID 106110193

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide (CID 106112900) is 3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide is COC(CN)C(=O)NCCc1cscn1.
What is the InChIKey of 3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is DRKSHNLIXNSDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-14-8(4-10)9(13)11-3-2-7-5-15-6-12-7/h5-6,8H,2-4,10H2,1H3,(H,11,13).
What are the key properties of 3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?
3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 229.30 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 106112900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).