3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid

C12H20N2O3S — CID 103486550

IUPAC3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
SMILESCCN(c1nc(CCC(=O)O)cs1)C(C)COC
InChIInChI=1S/C12H20N2O3S/c1-4-14(9(2)7-17-3)12-13-10(8-18-12)5-6-11(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyZOMAVNTYROSJMO-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.02
Rot. Bonds8

About 3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid

3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid (PubChem CID 103486550) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
PubChem CID103486550
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
SMILESCCN(c1nc(CCC(=O)O)cs1)C(C)COC
InChIInChI=1S/C12H20N2O3S/c1-4-14(9(2)7-17-3)12-13-10(8-18-12)5-6-11(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyZOMAVNTYROSJMO-UHFFFAOYSA-N
XLogP2.02
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]ethanol
CID 64545007
ethyl 3-[2-[ethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486127
4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
CID 83156097
2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80575301
3-[2-[ethyl(propyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486149
2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
CID 82952489
methyl 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80575730
3-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103488756
3-[2-(4-methoxy-N-methylanilino)-1,3-thiazol-4-yl]propanoic acid
CID 103486807
3-[2-[2-cyanoethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103487617
3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid
CID 103485545
3-[2-[(4-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103486744

Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid (CID 103486550) is 3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid is CCN(c1nc(CCC(=O)O)cs1)C(C)COC.
What is the InChIKey of 3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is ZOMAVNTYROSJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-14(9(2)7-17-3)12-13-10(8-18-12)5-6-11(15)16/h8-9H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid?
3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 272.37 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 103486550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).