2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine

C13H24N2S — CID 61332465

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine
SMILESCCC(C)C(C)(N)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H24N2S/c1-7-9(2)13(6,14)11-15-10(8-16-11)12(3,4)5/h8-9H,7,14H2,1-6H3
InChIKeyZXIKDQHXBMOWTG-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.66
Rot. Bonds3

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine

2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine (PubChem CID 61332465) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine
PubChem CID61332465
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine
SMILESCCC(C)C(C)(N)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H24N2S/c1-7-9(2)13(6,14)11-15-10(8-16-11)12(3,4)5/h8-9H,7,14H2,1-6H3
InChIKeyZXIKDQHXBMOWTG-UHFFFAOYSA-N
XLogP3.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine
CID 61332933
4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine
CID 114868550
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-2-amine
CID 80558828
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylpentan-2-amine
CID 61332734
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-methoxy-N-propan-2-ylpropan-2-amine
CID 62534931
2-(2,3-dimethylbutan-2-yl)-4-(2-methylbutan-2-yl)-1,3-thiazole
CID 155042066
3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylpentan-3-amine
CID 62544110
4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888399
6-(4-tert-butyl-1,3-thiazol-2-yl)hex-4-yn-3-amine
CID 106225915
3-tert-butyl-5-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dimethylhexan-2-yl]-1,2-thiazole
CID 139317576
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanoic acid
CID 79817832
5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79817319

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine (CID 61332465) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine is CCC(C)C(C)(N)c1nc(C(C)(C)C)cs1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine?
The InChIKey is ZXIKDQHXBMOWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-7-9(2)13(6,14)11-15-10(8-16-11)12(3,4)5/h8-9H,7,14H2,1-6H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine is sourced from PubChem (CID 61332465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).