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

C17H24N2S — CID 61331627

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H24N2S/c1-6-18-15(13-9-7-8-12(2)10-13)16-19-14(11-20-16)17(3,4)5/h7-11,15,18H,6H2,1-5H3
InChIKeyYNTGBPDIQMJGCN-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.45
Rot. Bonds4

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

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]ethanamine (PubChem CID 61331627) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]ethanamine
PubChem CID61331627
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H24N2S/c1-6-18-15(13-9-7-8-12(2)10-13)16-19-14(11-20-16)17(3,4)5/h7-11,15,18H,6H2,1-5H3
InChIKeyYNTGBPDIQMJGCN-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine
CID 61333653
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 61331630
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,5-difluorophenyl)methyl]ethanamine
CID 106531768
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 114488399
2-[[(S)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]amino]ethanol
CID 97031304
2-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-2-(3-methylphenyl)acetic acid
CID 166287763
N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105090650
1-(4-bromo-3-methylphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 66481594
N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine
CID 61334246
2-(4-tert-butyl-1,3-thiazol-2-yl)-3-(3-methylphenyl)propan-1-amine
CID 83977458
N-[(4-ethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491470
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine
CID 61331826

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]ethanamine (CID 61331627) is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1)c1nc(C(C)(C)C)cs1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]ethanamine?
The InChIKey is YNTGBPDIQMJGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-6-18-15(13-9-7-8-12(2)10-13)16-19-14(11-20-16)17(3,4)5/h7-11,15,18H,6H2,1-5H3.
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]ethanamine?
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]ethanamine has a molecular weight of 288.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 61331627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).