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

C14H24N2O2S — CID 62765137

IUPAC2-[butan-2-yl(butyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCCCN(c1nc(CC)c(C(=O)O)s1)C(C)CC
InChIInChI=1S/C14H24N2O2S/c1-5-8-9-16(10(4)6-2)14-15-11(7-3)12(19-14)13(17)18/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyVXFUQHWMSKZERB-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.81
Rot. Bonds8

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

2-[butan-2-yl(butyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62765137) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-[butan-2-yl(butyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[butan-2-yl(butyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
PubChem CID62765137
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-[butan-2-yl(butyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCCCN(c1nc(CC)c(C(=O)O)s1)C(C)CC
InChIInChI=1S/C14H24N2O2S/c1-5-8-9-16(10(4)6-2)14-15-11(7-3)12(19-14)13(17)18/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyVXFUQHWMSKZERB-UHFFFAOYSA-N
XLogP3.81
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(butyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[butan-2-yl(butyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid (CID 62765137) is 2-[butan-2-yl(butyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[butan-2-yl(butyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[butan-2-yl(butyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid is CCCCN(c1nc(CC)c(C(=O)O)s1)C(C)CC.
What is the InChIKey of 2-[butan-2-yl(butyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is VXFUQHWMSKZERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-8-9-16(10(4)6-2)14-15-11(7-3)12(19-14)13(17)18/h10H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-[butan-2-yl(butyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid?
2-[butan-2-yl(butyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 284.43 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(butyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62765137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).