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

C7H9ClN2O2S — CID 130580815

IUPAC4-chloro-2-(propylamino)-1,3-thiazole-5-carboxylic acid
SMILESCCCNc1nc(Cl)c(C(=O)O)s1
InChIInChI=1S/C7H9ClN2O2S/c1-2-3-9-7-10-5(8)4(13-7)6(11)12/h2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyKCWOJDCEAXAGHG-UHFFFAOYSA-N
MW220.68 g/mol
LogP2.32
Rot. Bonds4

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

4-chloro-2-(propylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 130580815) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 4-chloro-2-(propylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-(propylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID130580815
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name4-chloro-2-(propylamino)-1,3-thiazole-5-carboxylic acid
SMILESCCCNc1nc(Cl)c(C(=O)O)s1
InChIInChI=1S/C7H9ClN2O2S/c1-2-3-9-7-10-5(8)4(13-7)6(11)12/h2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyKCWOJDCEAXAGHG-UHFFFAOYSA-N
XLogP2.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
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-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 130580823
4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid
CID 130580837
[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-chlorothiophen-2-yl)methanone
CID 66553073
propyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate
CID 116674050
4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid
CID 117258671
methyl 4-chloro-2-(7-methyloctylamino)-1,3-thiazole-5-carboxylate
CID 107817531
4-chloro-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80687541
methyl 4-chloro-2-(6-methylsulfanylhexylamino)-1,3-thiazole-5-carboxylate
CID 113413390
methyl 4-chloro-2-[[2-(ethylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylate
CID 54926441
methyl 4-chloro-2-[(2-hydroxy-2-methylbutyl)amino]-1,3-thiazole-5-carboxylate
CID 63963192
methyl 4-chloro-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-1,3-thiazole-5-carboxylate
CID 62848698

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(propylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-chloro-2-(propylamino)-1,3-thiazole-5-carboxylic acid (CID 130580815) is 4-chloro-2-(propylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-2-(propylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-2-(propylamino)-1,3-thiazole-5-carboxylic acid is CCCNc1nc(Cl)c(C(=O)O)s1.
What is the InChIKey of 4-chloro-2-(propylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is KCWOJDCEAXAGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-2-3-9-7-10-5(8)4(13-7)6(11)12/h2-3H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 4-chloro-2-(propylamino)-1,3-thiazole-5-carboxylic acid?
4-chloro-2-(propylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 220.68 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(propylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 130580815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).