2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate

C12H10ClN2O3S- — CID 9154786

IUPAC2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate
SMILESCOc1ccc(Cl)cc1Nc1nc(CC(=O)[O-])cs1
InChIInChI=1S/C12H11ClN2O3S/c1-18-10-3-2-7(13)4-9(10)15-12-14-8(6-19-12)5-11(16)17/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)/p-1
InChIKeyFUQDECOHZQPGMO-UHFFFAOYSA-M
MW297.74 g/mol
LogP1.84
Rot. Bonds5

About 2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate

2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate (PubChem CID 9154786) has the molecular formula C12H10ClN2O3S- and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate
PubChem CID9154786
Molecular FormulaC12H10ClN2O3S-
Molecular Weight297.74 g/mol
Exact Mass297.01
IUPAC Name2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate
SMILESCOc1ccc(Cl)cc1Nc1nc(CC(=O)[O-])cs1
InChIInChI=1S/C12H11ClN2O3S/c1-18-10-3-2-7(13)4-9(10)15-12-14-8(6-19-12)5-11(16)17/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)/p-1
InChIKeyFUQDECOHZQPGMO-UHFFFAOYSA-M
XLogP1.84
TPSA74.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[2-(2,5-dichlorophenoxy)ethylamino]-1,3-thiazol-4-yl]acetate
CID 9155837
2-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 9154802
2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 75176643
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide
CID 33390940
N-(5-chloro-2-methoxyphenyl)-2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetamide
CID 27444463
2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30941542
2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 27377933
5-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 43322612
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955450
N-(3-acetamidophenyl)-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]acetamide
CID 30941849
N-(5-chloro-2-methoxyphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506025
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 27377989

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate (CID 9154786) is 2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate is COc1ccc(Cl)cc1Nc1nc(CC(=O)[O-])cs1.
What is the InChIKey of 2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate?
The InChIKey is FUQDECOHZQPGMO-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11ClN2O3S/c1-18-10-3-2-7(13)4-9(10)15-12-14-8(6-19-12)5-11(16)17/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)/p-1.
What are the key properties of 2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate?
2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate has a molecular weight of 297.74 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 9154786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).