2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid

C9H14N2O2S — CID 102765838

IUPAC2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid
SMILESCCCNC(C(=O)O)c1scnc1C
InChIInChI=1S/C9H14N2O2S/c1-3-4-10-7(9(12)13)8-6(2)11-5-14-8/h5,7,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyOCRJVLPQAAOCEO-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.58
Rot. Bonds5

About 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid

2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid (PubChem CID 102765838) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid
PubChem CID102765838
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid
SMILESCCCNC(C(=O)O)c1scnc1C
InChIInChI=1S/C9H14N2O2S/c1-3-4-10-7(9(12)13)8-6(2)11-5-14-8/h5,7,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyOCRJVLPQAAOCEO-UHFFFAOYSA-N
XLogP1.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate
CID 102765869
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-5-yl)acetic acid
CID 102765843
ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102765950
N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine
CID 105163726
N-[2-ethoxy-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105165095
3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 114984204
2-(4-methyl-1,3-thiazol-5-yl)-2-sulfanylacetic acid
CID 21298330
N-[2-(4-ethylphenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105101589
2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid
CID 104822494
4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 105190197
2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid
CID 62071360
ethyl (3R)-2,3-dihydroxy-3-(4-methyl-1,3-thiazol-5-yl)propanoate
CID 175760966

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid (CID 102765838) is 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid is CCCNC(C(=O)O)c1scnc1C.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid?
The InChIKey is OCRJVLPQAAOCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-4-10-7(9(12)13)8-6(2)11-5-14-8/h5,7,10H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid?
2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid has a molecular weight of 214.29 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid is sourced from PubChem (CID 102765838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).