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

C7H9ClN2O2S — CID 80687541

IUPAC4-chloro-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCN(C)c1nc(Cl)c(C(=O)O)s1
InChIInChI=1S/C7H9ClN2O2S/c1-3-10(2)7-9-5(8)4(13-7)6(11)12/h3H2,1-2H3,(H,11,12)
InChIKeyFLPCWFJFFDDEMS-UHFFFAOYSA-N
MW220.68 g/mol
LogP1.95
Rot. Bonds3

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

4-chloro-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 80687541) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 4-chloro-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID80687541
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name4-chloro-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCN(C)c1nc(Cl)c(C(=O)O)s1
InChIInChI=1S/C7H9ClN2O2S/c1-3-10(2)7-9-5(8)4(13-7)6(11)12/h3H2,1-2H3,(H,11,12)
InChIKeyFLPCWFJFFDDEMS-UHFFFAOYSA-N
XLogP1.95
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80688200
4-chloro-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-5-carboxylic acid
CID 80687094
2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-chloro-1,3-thiazole-5-carboxylic acid
CID 80688292
4-chloro-2-[(2-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 78979407
4-chloro-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 80693605
4-chloro-2-[furan-2-ylmethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
CID 78979678
4-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazole-5-carboxylic acid
CID 80687645
4-chloro-2-[(3-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 78979630
methyl 4-chloro-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxylate
CID 60845621
2-[butyl(methyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62765441
4-chloro-2-(propylamino)-1,3-thiazole-5-carboxylic acid
CID 130580815
4-tert-butyl-2-[2-ethoxyethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
CID 81068803

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-chloro-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid (CID 80687541) is 4-chloro-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid is CCN(C)c1nc(Cl)c(C(=O)O)s1.
What is the InChIKey of 4-chloro-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is FLPCWFJFFDDEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-3-10(2)7-9-5(8)4(13-7)6(11)12/h3H2,1-2H3,(H,11,12).
What are the key properties of 4-chloro-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid?
4-chloro-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 220.68 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80687541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).