4-tert-butyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazole-5-carboxylic acid

C14H24N2O2S — CID 62765477

IUPAC4-tert-butyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCC(C)CCN(C)c1nc(C(C)(C)C)c(C(=O)O)s1
InChIInChI=1S/C14H24N2O2S/c1-9(2)7-8-16(6)13-15-11(14(3,4)5)10(19-13)12(17)18/h9H,7-8H2,1-6H3,(H,17,18)
InChIKeyRMZRTVQBDIXGLH-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.62
Rot. Bonds5

About 4-tert-butyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazole-5-carboxylic acid

4-tert-butyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 62765477) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-tert-butyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID62765477
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-tert-butyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCC(C)CCN(C)c1nc(C(C)(C)C)c(C(=O)O)s1
InChIInChI=1S/C14H24N2O2S/c1-9(2)7-8-16(6)13-15-11(14(3,4)5)10(19-13)12(17)18/h9H,7-8H2,1-6H3,(H,17,18)
InChIKeyRMZRTVQBDIXGLH-UHFFFAOYSA-N
XLogP3.62
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-tert-butyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazole-5-carboxylic acid (CID 62765477) is 4-tert-butyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-tert-butyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazole-5-carboxylic acid is CC(C)CCN(C)c1nc(C(C)(C)C)c(C(=O)O)s1.
What is the InChIKey of 4-tert-butyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is RMZRTVQBDIXGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-9(2)7-8-16(6)13-15-11(14(3,4)5)10(19-13)12(17)18/h9H,7-8H2,1-6H3,(H,17,18).
What are the key properties of 4-tert-butyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazole-5-carboxylic acid?
4-tert-butyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 284.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62765477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).