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

C13H20N2O2S — CID 63918554

IUPAC2-[butyl(ethyl)amino]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
SMILESCCCCN(CC)c1nc(C2CC2)c(C(=O)O)s1
InChIInChI=1S/C13H20N2O2S/c1-3-5-8-15(4-2)13-14-10(9-6-7-9)11(18-13)12(16)17/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyCKKYSHNBHQQJOG-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.35
Rot. Bonds7

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

2-[butyl(ethyl)amino]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid (PubChem CID 63918554) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
PubChem CID63918554
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[butyl(ethyl)amino]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
SMILESCCCCN(CC)c1nc(C2CC2)c(C(=O)O)s1
InChIInChI=1S/C13H20N2O2S/c1-3-5-8-15(4-2)13-14-10(9-6-7-9)11(18-13)12(16)17/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyCKKYSHNBHQQJOG-UHFFFAOYSA-N
XLogP3.35
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 63966825
2-[butyl(ethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423388
4-cyclopropyl-2-(N-ethyl-4-methylanilino)-1,3-thiazole-5-carboxylic acid
CID 63915844
2-[ethyl(propyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764591
4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226918
4-cyclopropyl-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 63916238
4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 63915648
4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid
CID 94970667
4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 63916041
2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 63938356
2-N-butyl-2-N-ethyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64976647
2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114358418

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[butyl(ethyl)amino]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid (CID 63918554) is 2-[butyl(ethyl)amino]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[butyl(ethyl)amino]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[butyl(ethyl)amino]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid is CCCCN(CC)c1nc(C2CC2)c(C(=O)O)s1.
What is the InChIKey of 2-[butyl(ethyl)amino]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is CKKYSHNBHQQJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-5-8-15(4-2)13-14-10(9-6-7-9)11(18-13)12(16)17/h9H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[butyl(ethyl)amino]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
2-[butyl(ethyl)amino]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 268.38 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63918554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).