4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid

C10H13NO2S — CID 82226918

IUPAC4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(C2CC2)c(C(=O)O)s1
InChIInChI=1S/C10H13NO2S/c1-2-3-7-11-8(6-4-5-6)9(14-7)10(12)13/h6H,2-5H2,1H3,(H,12,13)
InChIKeyOWYBXCHJLNDDPG-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.67
Rot. Bonds4

About 4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 82226918) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID82226918
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(C2CC2)c(C(=O)O)s1
InChIInChI=1S/C10H13NO2S/c1-2-3-7-11-8(6-4-5-6)9(14-7)10(12)13/h6H,2-5H2,1H3,(H,12,13)
InChIKeyOWYBXCHJLNDDPG-UHFFFAOYSA-N
XLogP2.67
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid
CID 94970667
4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82227605
4-cyclopropyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82227364
4-cyclopropyl-2-[(2-methoxyethylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 114358688
5-(4-methylcyclohexyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510848
2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114358418
2-[butyl(ethyl)amino]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 63918554
2-[(2-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360188
2-propyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 175335366
2-[(4-chlorophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360231
4-cyclopropyl-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 63966825
1-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 82436151

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid (CID 82226918) is 4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(C2CC2)c(C(=O)O)s1.
What is the InChIKey of 4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is OWYBXCHJLNDDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-2-3-7-11-8(6-4-5-6)9(14-7)10(12)13/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).