5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine

C13H24N2S — CID 79817319

IUPAC5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
SMILESCC(N)CC(C)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H24N2S/c1-9(6-10(2)14)7-12-15-11(8-16-12)13(3,4)5/h8-10H,6-7,14H2,1-5H3
InChIKeyQSRHDFLMNPPBGZ-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.36
Rot. Bonds4

About 5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine

5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine (PubChem CID 79817319) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
PubChem CID79817319
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
SMILESCC(N)CC(C)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H24N2S/c1-9(6-10(2)14)7-12-15-11(8-16-12)13(3,4)5/h8-10H,6-7,14H2,1-5H3
InChIKeyQSRHDFLMNPPBGZ-UHFFFAOYSA-N
XLogP3.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79820663
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312170
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116551747
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propanedioic acid
CID 116868102
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424
methyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylbutanoate
CID 79816963
3-methyl-3-[2-(2-methylpropyl)-1,3-thiazol-4-yl]butan-1-amine
CID 116888443
4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol
CID 79817868
3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid
CID 79819859
[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105214128
[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213765

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine?
The IUPAC name of 5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine (CID 79817319) is 5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine.
What is the SMILES notation for 5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine?
The canonical SMILES for 5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine is CC(N)CC(C)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine?
The InChIKey is QSRHDFLMNPPBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-9(6-10(2)14)7-12-15-11(8-16-12)13(3,4)5/h8-10H,6-7,14H2,1-5H3.
What are the key properties of 5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine?
5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine is sourced from PubChem (CID 79817319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).