2-[2-(2-aminopropanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C10H15N3O3S — CID 110460143

IUPAC2-[2-(2-aminopropanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CCNC(=O)C(C)N)sc1C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-5(11)9(14)12-4-3-7-13-6(2)8(17-7)10(15)16/h5H,3-4,11H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyHLSOKQNFPSCVHI-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.16
Rot. Bonds5

About 2-[2-(2-aminopropanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[2-(2-aminopropanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 110460143) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[2-(2-aminopropanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-aminopropanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID110460143
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[2-(2-aminopropanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CCNC(=O)C(C)N)sc1C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-5(11)9(14)12-4-3-7-13-6(2)8(17-7)10(15)16/h5H,3-4,11H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyHLSOKQNFPSCVHI-UHFFFAOYSA-N
XLogP0.16
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 119891761
2-[2-(4-aminobutanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 110460840
2-[2-[[(2E,4E)-hexa-2,4-dienoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 110461265
2-[2-[2-(dimethylamino)ethylamino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82120808
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide
CID 119272632
(2S)-2-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutanamide
CID 119891763
2-[[(4-amino-3-methylbutanoyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 81079720
2-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63630344
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide;hydrochloride
CID 119272631
2-(carboxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154755
4-methyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154413
4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 120565744

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-(2-aminopropanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 110460143) is 2-[2-(2-aminopropanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(2-aminopropanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(2-aminopropanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(CCNC(=O)C(C)N)sc1C(=O)O.
What is the InChIKey of 2-[2-(2-aminopropanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is HLSOKQNFPSCVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-5(11)9(14)12-4-3-7-13-6(2)8(17-7)10(15)16/h5H,3-4,11H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[2-(2-aminopropanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[2-(2-aminopropanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropanoylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 110460143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).