2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid

C12H8BrClN2O3S — CID 81290528

IUPAC2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)c2ccc(Br)c(Cl)c2)n1
InChIInChI=1S/C12H8BrClN2O3S/c13-8-2-1-6(3-9(8)14)11(19)16-12-15-7(5-20-12)4-10(17)18/h1-3,5H,4H2,(H,17,18)(H,15,16,19)
InChIKeyNMGJNIVMBGTCKN-UHFFFAOYSA-N
MW375.63 g/mol
LogP3.44
Rot. Bonds4

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

2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 81290528) has the molecular formula C12H8BrClN2O3S and a molecular weight of 375.63 g/mol. Its IUPAC name is 2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID81290528
Molecular FormulaC12H8BrClN2O3S
Molecular Weight375.63 g/mol
Exact Mass373.91
IUPAC Name2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)c2ccc(Br)c(Cl)c2)n1
InChIInChI=1S/C12H8BrClN2O3S/c13-8-2-1-6(3-9(8)14)11(19)16-12-15-7(5-20-12)4-10(17)18/h1-3,5H,4H2,(H,17,18)(H,15,16,19)
InChIKeyNMGJNIVMBGTCKN-UHFFFAOYSA-N
XLogP3.44
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.63
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 63194252
2-[2-[(2-bromo-4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 107986384
2-[2-[(4-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 43089417
2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80644266
2-[2-(1H-indazole-6-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 43354595
3-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 63195472
2-[2-[(5-bromopyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62960563
2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 106860455
4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 80973968
2-[2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 43170587
2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 106683297
2-[2-(furan-3-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 16774692

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 81290528) is 2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NC(=O)c2ccc(Br)c(Cl)c2)n1.
What is the InChIKey of 2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is NMGJNIVMBGTCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O3S/c13-8-2-1-6(3-9(8)14)11(19)16-12-15-7(5-20-12)4-10(17)18/h1-3,5H,4H2,(H,17,18)(H,15,16,19).
What are the key properties of 2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 375.63 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 81290528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).