[4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine

C15H20N2OS — CID 82439181

IUPAC[4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine
SMILESCOc1cccc(-c2nc(C(C)(C)C)c(CN)s2)c1
InChIInChI=1S/C15H20N2OS/c1-15(2,3)13-12(9-16)19-14(17-13)10-6-5-7-11(8-10)18-4/h5-8H,9,16H2,1-4H3
InChIKeyFPPUSBDHFFGVTR-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.57
Rot. Bonds3

About [4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine

[4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 82439181) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is [4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine
PubChem CID82439181
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name[4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine
SMILESCOc1cccc(-c2nc(C(C)(C)C)c(CN)s2)c1
InChIInChI=1S/C15H20N2OS/c1-15(2,3)13-12(9-16)19-14(17-13)10-6-5-7-11(8-10)18-4/h5-8H,9,16H2,1-4H3
InChIKeyFPPUSBDHFFGVTR-UHFFFAOYSA-N
XLogP3.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-tert-butyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 114360980
5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766654
[4-tert-butyl-2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82439217
[4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 82439289
[4-tert-butyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 114361063
2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine
CID 93216550
[4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114360940
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 82302253
5-methoxy-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole
CID 116887585
2-(3-methoxyphenyl)-4-phenyl-1,3-thiazol-5-amine
CID 71085692
[4-tert-butyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82439229
2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82430025

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine (CID 82439181) is [4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine is COc1cccc(-c2nc(C(C)(C)C)c(CN)s2)c1.
What is the InChIKey of [4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is FPPUSBDHFFGVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-15(2,3)13-12(9-16)19-14(17-13)10-6-5-7-11(8-10)18-4/h5-8H,9,16H2,1-4H3.
What are the key properties of [4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine?
[4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 276.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82439181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).