2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid

C10H14N2O3S — CID 61011678

IUPAC2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1scnc1C
InChIInChI=1S/C10H14N2O3S/c1-3-4-12(5-8(13)14)10(15)9-7(2)11-6-16-9/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyHQWZHHNWBYAVOH-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.39
Rot. Bonds5

About 2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid

2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid (PubChem CID 61011678) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
PubChem CID61011678
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1scnc1C
InChIInChI=1S/C10H14N2O3S/c1-3-4-12(5-8(13)14)10(15)9-7(2)11-6-16-9/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyHQWZHHNWBYAVOH-UHFFFAOYSA-N
XLogP1.39
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methyl-1,3-thiazole-5-carbonyl)-prop-2-ynylamino]acetic acid
CID 79274604
N-(cyanomethyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 61381686
N-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 43459474
2-[(3-ethylthiophene-2-carbonyl)-propylamino]acetic acid
CID 61389348
2-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
CID 119205538
2-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)acetic acid
CID 60831444
2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetic acid
CID 61013428
N,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
CID 94112886
N,4-dimethyl-N-[(2S)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
CID 94112885
N-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 63390843
2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
CID 119205644
N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 56816608

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid (CID 61011678) is 2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1scnc1C.
What is the InChIKey of 2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid?
The InChIKey is HQWZHHNWBYAVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-3-4-12(5-8(13)14)10(15)9-7(2)11-6-16-9/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid?
2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid has a molecular weight of 242.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 61011678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).