N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethylpentan-3-amine

C13H24N2S — CID 115640538

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethylpentan-3-amine
SMILESCCC(NCc1sc(C)nc1C)C(C)(C)C
InChIInChI=1S/C13H24N2S/c1-7-12(13(4,5)6)14-8-11-9(2)15-10(3)16-11/h12,14H,7-8H2,1-6H3
InChIKeyWZSLZZLBKSPNMS-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.67
Rot. Bonds4

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethylpentan-3-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethylpentan-3-amine (PubChem CID 115640538) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethylpentan-3-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethylpentan-3-amine
PubChem CID115640538
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethylpentan-3-amine
SMILESCCC(NCc1sc(C)nc1C)C(C)(C)C
InChIInChI=1S/C13H24N2S/c1-7-12(13(4,5)6)14-8-11-9(2)15-10(3)16-11/h12,14H,7-8H2,1-6H3
InChIKeyWZSLZZLBKSPNMS-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]hept-6-en-3-amine
CID 115724027
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethylsulfanylpropan-2-amine
CID 115660798
1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 64542283
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine
CID 64988262
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941217
(2S)-2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]butanamide
CID 119891888
1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 64539742
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 64539925
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879387
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529298
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 64539296
1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 64539114

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethylpentan-3-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethylpentan-3-amine (CID 115640538) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethylpentan-3-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethylpentan-3-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethylpentan-3-amine is CCC(NCc1sc(C)nc1C)C(C)(C)C.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethylpentan-3-amine?
The InChIKey is WZSLZZLBKSPNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-7-12(13(4,5)6)14-8-11-9(2)15-10(3)16-11/h12,14H,7-8H2,1-6H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethylpentan-3-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethylpentan-3-amine has a molecular weight of 240.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethylpentan-3-amine is sourced from PubChem (CID 115640538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).