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

C18H26N2S — CID 43768791

IUPAC1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CNC(C)c2sc(C(C)(C)C)nc2C)c1
InChIInChI=1S/C18H26N2S/c1-12-8-7-9-15(10-12)11-19-13(2)16-14(3)20-17(21-16)18(4,5)6/h7-10,13,19H,11H2,1-6H3
InChIKeyUXDFNKQSGQYEMV-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.91
Rot. Bonds4

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

1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methylphenyl)methyl]ethanamine (PubChem CID 43768791) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methylphenyl)methyl]ethanamine
PubChem CID43768791
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CNC(C)c2sc(C(C)(C)C)nc2C)c1
InChIInChI=1S/C18H26N2S/c1-12-8-7-9-15(10-12)11-19-13(2)16-14(3)20-17(21-16)18(4,5)6/h7-10,13,19H,11H2,1-6H3
InChIKeyUXDFNKQSGQYEMV-UHFFFAOYSA-N
XLogP4.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 61060540
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 43774132
N-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 115526384
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756145
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115713038
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61014973
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3-chloroaniline
CID 43762120
1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115617548
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634562
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238671
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 43756395
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462433

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methylphenyl)methyl]ethanamine?
The IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methylphenyl)methyl]ethanamine (CID 43768791) is 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methylphenyl)methyl]ethanamine is Cc1cccc(CNC(C)c2sc(C(C)(C)C)nc2C)c1.
What is the InChIKey of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methylphenyl)methyl]ethanamine?
The InChIKey is UXDFNKQSGQYEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-12-8-7-9-15(10-12)11-19-13(2)16-14(3)20-17(21-16)18(4,5)6/h7-10,13,19H,11H2,1-6H3.
What are the key properties of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methylphenyl)methyl]ethanamine?
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methylphenyl)methyl]ethanamine has a molecular weight of 302.49 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43768791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).