1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C16H22N2S — CID 82438547

IUPAC1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccc(C)cc2)nc1C(C)(C)C
InChIInChI=1S/C16H22N2S/c1-11-6-8-12(9-7-11)15-18-14(16(2,3)4)13(19-15)10-17-5/h6-9,17H,10H2,1-5H3
InChIKeyRVDOVTYZYVMVAG-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.14
Rot. Bonds3

About 1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 82438547) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID82438547
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccc(C)cc2)nc1C(C)(C)C
InChIInChI=1S/C16H22N2S/c1-11-6-8-12(9-7-11)15-18-14(16(2,3)4)13(19-15)10-17-5/h6-9,17H,10H2,1-5H3
InChIKeyRVDOVTYZYVMVAG-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 82438547) is 1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2ccc(C)cc2)nc1C(C)(C)C.
What is the InChIKey of 1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is RVDOVTYZYVMVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-11-6-8-12(9-7-11)15-18-14(16(2,3)4)13(19-15)10-17-5/h6-9,17H,10H2,1-5H3.
What are the key properties of 1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 274.43 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82438547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).