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

C8H9ClN2O2S — CID 130580823

IUPAC4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCC1CC1Nc1nc(Cl)c(C(=O)O)s1
InChIInChI=1S/C8H9ClN2O2S/c1-3-2-4(3)10-8-11-6(9)5(14-8)7(12)13/h3-4H,2H2,1H3,(H,10,11)(H,12,13)
InChIKeyCFPWEYNCXMXWDZ-UHFFFAOYSA-N
MW232.69 g/mol
LogP2.32
Rot. Bonds3

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

4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 130580823) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is 4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID130580823
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC Name4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCC1CC1Nc1nc(Cl)c(C(=O)O)s1
InChIInChI=1S/C8H9ClN2O2S/c1-3-2-4(3)10-8-11-6(9)5(14-8)7(12)13/h3-4H,2H2,1H3,(H,10,11)(H,12,13)
InChIKeyCFPWEYNCXMXWDZ-UHFFFAOYSA-N
XLogP2.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid
CID 117258667
4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid
CID 117258671
methyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate
CID 64921664
4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carbonitrile
CID 106595494
2-[(2,3-dimethylcyclopentyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570620
4-chloro-2-(propylamino)-1,3-thiazole-5-carboxylic acid
CID 130580815
4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid
CID 130580837
methyl 4-chloro-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 80602834
3-chloro-6-[(2-methylcyclopropyl)amino]pyridine-2-carboxylic acid
CID 62409579
methyl 4-chloro-2-[(2-methylcyclopropyl)methylamino]-1,3-thiazole-5-carboxylate
CID 115885990
methyl 4-chloro-2-[(2-methylsulfanylcyclopentyl)amino]-1,3-thiazole-5-carboxylate
CID 103704048
methyl 4-chloro-2-[(2-cyclopropyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 113341175

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid (CID 130580823) is 4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid is CC1CC1Nc1nc(Cl)c(C(=O)O)s1.
What is the InChIKey of 4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is CFPWEYNCXMXWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S/c1-3-2-4(3)10-8-11-6(9)5(14-8)7(12)13/h3-4H,2H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid?
4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 232.69 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 130580823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).