N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine

C20H25N3OS — CID 52601838

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine
SMILESCc1noc(C)c1CN(C)Cc1csc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C20H25N3OS/c1-13(2)16-6-8-17(9-7-16)20-21-18(12-25-20)10-23(5)11-19-14(3)22-24-15(19)4/h6-9,12-13H,10-11H2,1-5H3
InChIKeyDWAMOUWIAFVKQZ-UHFFFAOYSA-N
MW355.51 g/mol
LogP5.17
Rot. Bonds6

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine (PubChem CID 52601838) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine
PubChem CID52601838
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine
SMILESCc1noc(C)c1CN(C)Cc1csc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C20H25N3OS/c1-13(2)16-6-8-17(9-7-16)20-21-18(12-25-20)10-23(5)11-19-14(3)22-24-15(19)4/h6-9,12-13H,10-11H2,1-5H3
InChIKeyDWAMOUWIAFVKQZ-UHFFFAOYSA-N
XLogP5.17
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.51
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine (CID 52601838) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine is Cc1noc(C)c1CN(C)Cc1csc(-c2ccc(C(C)C)cc2)n1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is DWAMOUWIAFVKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-13(2)16-6-8-17(9-7-16)20-21-18(12-25-20)10-23(5)11-19-14(3)22-24-15(19)4/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 355.51 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 52601838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).