4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid

C7H7ClN2O2S — CID 117258667

IUPAC4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(NC2CC2)nc1Cl
InChIInChI=1S/C7H7ClN2O2S/c8-5-4(6(11)12)13-7(10-5)9-3-1-2-3/h3H,1-2H2,(H,9,10)(H,11,12)
InChIKeyPYBQPKRUPULUIA-UHFFFAOYSA-N
MW218.66 g/mol
LogP2.07
Rot. Bonds3

About 4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid

4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 117258667) has the molecular formula C7H7ClN2O2S and a molecular weight of 218.66 g/mol. Its IUPAC name is 4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID117258667
Molecular FormulaC7H7ClN2O2S
Molecular Weight218.66 g/mol
Exact Mass217.99
IUPAC Name4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(NC2CC2)nc1Cl
InChIInChI=1S/C7H7ClN2O2S/c8-5-4(6(11)12)13-7(10-5)9-3-1-2-3/h3H,1-2H2,(H,9,10)(H,11,12)
InChIKeyPYBQPKRUPULUIA-UHFFFAOYSA-N
XLogP2.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid
CID 117258671
4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 130580823
methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate
CID 47257578
methyl 4-chloro-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]amino]-1,3-thiazole-5-carboxylate
CID 86814445
4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid
CID 130580837
4-chloro-2-(propylamino)-1,3-thiazole-5-carboxylic acid
CID 130580815
methyl 4-chloro-2-[(1-cyclopentylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 133320343
methyl 4-chloro-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate
CID 133336131
methyl 4-chloro-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 65470334
methyl 4-chloro-2-[(2,2-dimethyloxan-4-yl)amino]-1,3-thiazole-5-carboxylate
CID 113336621
4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carbaldehyde
CID 53273626
4-amino-N-(4-chlorophenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116668465

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid (CID 117258667) is 4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(NC2CC2)nc1Cl.
What is the InChIKey of 4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is PYBQPKRUPULUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2S/c8-5-4(6(11)12)13-7(10-5)9-3-1-2-3/h3H,1-2H2,(H,9,10)(H,11,12).
What are the key properties of 4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid?
4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 218.66 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 117258667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).