N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyloxan-4-amine

C15H26N2OS — CID 115563595

IUPACN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NCc2cnc(C(C)(C)C)s2)CCO1
InChIInChI=1S/C15H26N2OS/c1-14(2,3)13-17-10-12(19-13)9-16-11-6-7-18-15(4,5)8-11/h10-11,16H,6-9H2,1-5H3
InChIKeyDRYHTUVLQRIMGC-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.49
Rot. Bonds3

About N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyloxan-4-amine

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyloxan-4-amine (PubChem CID 115563595) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyloxan-4-amine
PubChem CID115563595
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NCc2cnc(C(C)(C)C)s2)CCO1
InChIInChI=1S/C15H26N2OS/c1-14(2,3)13-17-10-12(19-13)9-16-11-6-7-18-15(4,5)8-11/h10-11,16H,6-9H2,1-5H3
InChIKeyDRYHTUVLQRIMGC-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine
CID 63121173
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-3-amine
CID 63921924
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclohexan-1-ol
CID 63121163
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-dimethyloxan-4-amine
CID 106369246
N-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine
CID 115563621
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine
CID 115768431
2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
CID 115563730
N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563697
N-[[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 65390861
(6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95328357
(4S)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753865
N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 2863086

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyloxan-4-amine (CID 115563595) is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyloxan-4-amine is CC1(C)CC(NCc2cnc(C(C)(C)C)s2)CCO1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyloxan-4-amine?
The InChIKey is DRYHTUVLQRIMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-14(2,3)13-17-10-12(19-13)9-16-11-6-7-18-15(4,5)8-11/h10-11,16H,6-9H2,1-5H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyloxan-4-amine?
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyloxan-4-amine has a molecular weight of 282.45 g/mol, XLogP of 3.49, 3 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-5-yl)methyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 115563595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).