4-tert-butyl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid

C14H24N2O2S — CID 62764942

IUPAC4-tert-butyl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCCN(c1nc(C(C)(C)C)c(C(=O)O)s1)C(C)C
InChIInChI=1S/C14H24N2O2S/c1-7-8-16(9(2)3)13-15-11(14(4,5)6)10(19-13)12(17)18/h9H,7-8H2,1-6H3,(H,17,18)
InChIKeyLYQXUNZMSZRECR-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.76
Rot. Bonds5

About 4-tert-butyl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid

4-tert-butyl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 62764942) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-tert-butyl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID62764942
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-tert-butyl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCCN(c1nc(C(C)(C)C)c(C(=O)O)s1)C(C)C
InChIInChI=1S/C14H24N2O2S/c1-7-8-16(9(2)3)13-15-11(14(4,5)6)10(19-13)12(17)18/h9H,7-8H2,1-6H3,(H,17,18)
InChIKeyLYQXUNZMSZRECR-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-2-[ethyl(propan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 62765960
4-propan-2-yl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid
CID 79393407
4-tert-butyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62764090
4-tert-butyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62765477
4-tert-butyl-2-[2-ethoxyethyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
CID 81068803
4-tert-butyl-2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 55112848
2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 55112748
4-tert-butyl-2-[cyclopropyl(ethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62765619
4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboxylic acid
CID 82227339
[4-tert-butyl-2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 62780003
4-tert-butyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114359338
4-tert-butyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226722

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-tert-butyl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid (CID 62764942) is 4-tert-butyl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-tert-butyl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid is CCCN(c1nc(C(C)(C)C)c(C(=O)O)s1)C(C)C.
What is the InChIKey of 4-tert-butyl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is LYQXUNZMSZRECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-7-8-16(9(2)3)13-15-11(14(4,5)6)10(19-13)12(17)18/h9H,7-8H2,1-6H3,(H,17,18).
What are the key properties of 4-tert-butyl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid?
4-tert-butyl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 284.43 g/mol, XLogP of 3.76, 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-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62764942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).