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

C13H24N2S — CID 79820663

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
SMILESCC(C)CC(N)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H24N2S/c1-9(2)6-10(14)7-12-15-11(8-16-12)13(3,4)5/h8-10H,6-7,14H2,1-5H3
InChIKeyFGYDHWZTDYZVGP-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.36
Rot. Bonds4

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

1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine (PubChem CID 79820663) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
PubChem CID79820663
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
SMILESCC(C)CC(N)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H24N2S/c1-9(2)6-10(14)7-12-15-11(8-16-12)13(3,4)5/h8-10H,6-7,14H2,1-5H3
InChIKeyFGYDHWZTDYZVGP-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)-3-methoxypropan-2-amine
CID 79820516
5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79817319
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-2-amine
CID 79820432
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312170
3-methyl-3-[2-(2-methylpropyl)-1,3-thiazol-4-yl]butan-1-amine
CID 116888443
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-amine
CID 79819973
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propan-2-amine
CID 79820438
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propanedioic acid
CID 116868102
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine
CID 105169535
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine (CID 79820663) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine is CC(C)CC(N)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine?
The InChIKey is FGYDHWZTDYZVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-9(2)6-10(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 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine?
1-(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 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine is sourced from PubChem (CID 79820663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).