2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propylamino]acetic acid

C15H17ClN2O2S — CID 61007401

IUPAC2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H17ClN2O2S/c1-2-7-18(9-14(19)20)8-11-10-21-15(17-11)12-5-3-4-6-13(12)16/h3-6,10H,2,7-9H2,1H3,(H,19,20)
InChIKeyWOQZZOVAMXWGDP-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.76
Rot. Bonds7

About 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propylamino]acetic acid

2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propylamino]acetic acid (PubChem CID 61007401) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propylamino]acetic acid
PubChem CID61007401
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H17ClN2O2S/c1-2-7-18(9-14(19)20)8-11-10-21-15(17-11)12-5-3-4-6-13(12)16/h3-6,10H,2,7-9H2,1H3,(H,19,20)
InChIKeyWOQZZOVAMXWGDP-UHFFFAOYSA-N
XLogP3.76
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propylamino]acetic acid with MolForge

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Related Compounds

2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetic acid
CID 60839308
2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol
CID 115633493
2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl-prop-2-ynylamino]acetic acid
CID 79270004
3-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]-ethylamino]propanoic acid
CID 119191537
5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-ethyl-4-oxopentanoic acid
CID 161099484
N-[4-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78825660
2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanoic acid
CID 43237495
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N,N-bis(cyanomethyl)acetamide
CID 52827861
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide
CID 110284946
2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548145

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propylamino]acetic acid?
The IUPAC name of 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propylamino]acetic acid (CID 61007401) is 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propylamino]acetic acid is CCCN(CC(=O)O)Cc1csc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propylamino]acetic acid?
The InChIKey is WOQZZOVAMXWGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-2-7-18(9-14(19)20)8-11-10-21-15(17-11)12-5-3-4-6-13(12)16/h3-6,10H,2,7-9H2,1H3,(H,19,20).
What are the key properties of 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propylamino]acetic acid?
2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propylamino]acetic acid has a molecular weight of 324.83 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propylamino]acetic acid is sourced from PubChem (CID 61007401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).