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

C15H28N2OS — CID 104625161

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNCc1csc(C(C)(C)C)n1
InChIInChI=1S/C15H28N2OS/c1-14(2,3)13-17-12(10-19-13)9-16-11-15(4,5)7-8-18-6/h10,16H,7-9,11H2,1-6H3
InChIKeyCXLAHRBIMMSONE-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.59
Rot. Bonds7

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

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine (PubChem CID 104625161) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
PubChem CID104625161
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNCc1csc(C(C)(C)C)n1
InChIInChI=1S/C15H28N2OS/c1-14(2,3)13-17-12(10-19-13)9-16-11-15(4,5)7-8-18-6/h10,16H,7-9,11H2,1-6H3
InChIKeyCXLAHRBIMMSONE-UHFFFAOYSA-N
XLogP3.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664412
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857684
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
CID 115586423
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 115614174
2,2,2-trifluoro-N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 113461233
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 115629587
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide
CID 47285247
2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 102929431
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 115603242
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115699192
2-bromo-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]prop-2-en-1-amine
CID 115614724
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-ethylacetamide
CID 115586443

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine (CID 104625161) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine is COCCC(C)(C)CNCc1csc(C(C)(C)C)n1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The InChIKey is CXLAHRBIMMSONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-14(2,3)13-17-12(10-19-13)9-16-11-15(4,5)7-8-18-6/h10,16H,7-9,11H2,1-6H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine has a molecular weight of 284.47 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 104625161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).