2-tert-butyl-4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid

C15H22N2O3S — CID 69476638

IUPAC2-tert-butyl-4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(CC(=O)NC2CCCC2)c(C(=O)O)s1
InChIInChI=1S/C15H22N2O3S/c1-15(2,3)14-17-10(12(21-14)13(19)20)8-11(18)16-9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyIIZVIULOXDSCHQ-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.74
Rot. Bonds4

About 2-tert-butyl-4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid

2-tert-butyl-4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 69476638) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-tert-butyl-4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID69476638
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-tert-butyl-4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(CC(=O)NC2CCCC2)c(C(=O)O)s1
InChIInChI=1S/C15H22N2O3S/c1-15(2,3)14-17-10(12(21-14)13(19)20)8-11(18)16-9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyIIZVIULOXDSCHQ-UHFFFAOYSA-N
XLogP2.74
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid (CID 69476638) is 2-tert-butyl-4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid is CC(C)(C)c1nc(CC(=O)NC2CCCC2)c(C(=O)O)s1.
What is the InChIKey of 2-tert-butyl-4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is IIZVIULOXDSCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-15(2,3)14-17-10(12(21-14)13(19)20)8-11(18)16-9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-tert-butyl-4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid?
2-tert-butyl-4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 69476638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).