2-amino-2-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid

C12H10Cl2N2O2S — CID 113422961

IUPAC2-amino-2-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H10Cl2N2O2S/c13-7-2-1-6(3-8(7)14)4-10-16-9(5-19-10)11(15)12(17)18/h1-3,5,11H,4,15H2,(H,17,18)
InChIKeyZABNCCYCYJTYIZ-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.13
Rot. Bonds4

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

2-amino-2-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 113422961) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 2-amino-2-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID113422961
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name2-amino-2-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H10Cl2N2O2S/c13-7-2-1-6(3-8(7)14)4-10-16-9(5-19-10)11(15)12(17)18/h1-3,5,11H,4,15H2,(H,17,18)
InChIKeyZABNCCYCYJTYIZ-UHFFFAOYSA-N
XLogP3.13
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527102
2-amino-2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 104527348
4-(3-chloropropyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole
CID 113369403
2-amino-2-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527034
2-[(3,4-dichlorophenyl)methyl]propanedioic acid
CID 69044923
2-amino-2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 113423016
2-amino-2-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527434
2-amino-2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527137
2-amino-2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 113422990
4-[(4-chlorophenyl)methylsulfanylmethyl]-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole
CID 46083426
4-(3-bromophenyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole
CID 79831454
N-[[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-methylpentan-1-amine
CID 91633877

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid (CID 113422961) is 2-amino-2-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid is NC(C(=O)O)c1csc(Cc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-amino-2-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ZABNCCYCYJTYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c13-7-2-1-6(3-8(7)14)4-10-16-9(5-19-10)11(15)12(17)18/h1-3,5,11H,4,15H2,(H,17,18).
What are the key properties of 2-amino-2-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 317.20 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 113422961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).