N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine

C14H26N2S — CID 115715580

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NCc1csc(C(C)(C)C)n1
InChIInChI=1S/C14H26N2S/c1-10(2)7-11(3)15-8-12-9-17-13(16-12)14(4,5)6/h9-11,15H,7-8H2,1-6H3
InChIKeyYNGNIZOJVQTXPW-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.96
Rot. Bonds5

About N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine (PubChem CID 115715580) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine
PubChem CID115715580
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NCc1csc(C(C)(C)C)n1
InChIInChI=1S/C14H26N2S/c1-10(2)7-11(3)15-8-12-9-17-13(16-12)14(4,5)6/h9-11,15H,7-8H2,1-6H3
InChIKeyYNGNIZOJVQTXPW-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639877
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111436836
(2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid
CID 120511468
(1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine
CID 114985501
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 115629587
(1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine
CID 104862931
(1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 104862911
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-methylsulfanylbutan-1-ol
CID 103685009
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 115591923
2-[4-[(butan-2-ylamino)methyl]-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 103097439
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-ethylpentan-3-amine
CID 113243337
(1S)-1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 104862921

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine (CID 115715580) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine is CC(C)CC(C)NCc1csc(C(C)(C)C)n1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine?
The InChIKey is YNGNIZOJVQTXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-10(2)7-11(3)15-8-12-9-17-13(16-12)14(4,5)6/h9-11,15H,7-8H2,1-6H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine has a molecular weight of 254.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine is sourced from PubChem (CID 115715580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).