4-[4-(3,5-ditert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethyloxan-4-amine

C24H36N2OS — CID 25222569

IUPAC4-[4-(3,5-ditert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethyloxan-4-amine
SMILESCN(C)C1(c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cs2)CCOCC1
InChIInChI=1S/C24H36N2OS/c1-22(2,3)18-13-17(14-19(15-18)23(4,5)6)20-16-28-21(25-20)24(26(7)8)9-11-27-12-10-24/h13-16H,9-12H2,1-8H3
InChIKeyDRQYEPLMFLHJIK-UHFFFAOYSA-N
MW400.63 g/mol
LogP5.97
Rot. Bonds3

About 4-[4-(3,5-ditert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethyloxan-4-amine

4-[4-(3,5-ditert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethyloxan-4-amine (PubChem CID 25222569) has the molecular formula C24H36N2OS and a molecular weight of 400.63 g/mol. Its IUPAC name is 4-[4-(3,5-ditert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethyloxan-4-amine.

Molecular Properties

Compound Name4-[4-(3,5-ditert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethyloxan-4-amine
PubChem CID25222569
Molecular FormulaC24H36N2OS
Molecular Weight400.63 g/mol
Exact Mass400.25
IUPAC Name4-[4-(3,5-ditert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethyloxan-4-amine
SMILESCN(C)C1(c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cs2)CCOCC1
InChIInChI=1S/C24H36N2OS/c1-22(2,3)18-13-17(14-19(15-18)23(4,5)6)20-16-28-21(25-20)24(26(7)8)9-11-27-12-10-24/h13-16H,9-12H2,1-8H3
InChIKeyDRQYEPLMFLHJIK-UHFFFAOYSA-N
XLogP5.97
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.63
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-ditert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethyloxan-4-amine?
The IUPAC name of 4-[4-(3,5-ditert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethyloxan-4-amine (CID 25222569) is 4-[4-(3,5-ditert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethyloxan-4-amine.
What is the SMILES notation for 4-[4-(3,5-ditert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethyloxan-4-amine?
The canonical SMILES for 4-[4-(3,5-ditert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethyloxan-4-amine is CN(C)C1(c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cs2)CCOCC1.
What is the InChIKey of 4-[4-(3,5-ditert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethyloxan-4-amine?
The InChIKey is DRQYEPLMFLHJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2OS/c1-22(2,3)18-13-17(14-19(15-18)23(4,5)6)20-16-28-21(25-20)24(26(7)8)9-11-27-12-10-24/h13-16H,9-12H2,1-8H3.
What are the key properties of 4-[4-(3,5-ditert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethyloxan-4-amine?
4-[4-(3,5-ditert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethyloxan-4-amine has a molecular weight of 400.63 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-ditert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethyloxan-4-amine is sourced from PubChem (CID 25222569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).