2-[2-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanamine

C18H26N2S — CID 82155456

IUPAC2-[2-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanamine
SMILESCC(C)c1ccc(CC(C)(C)c2nc(CCN)cs2)cc1
InChIInChI=1S/C18H26N2S/c1-13(2)15-7-5-14(6-8-15)11-18(3,4)17-20-16(9-10-19)12-21-17/h5-8,12-13H,9-11,19H2,1-4H3
InChIKeyMYWZQXRMCDCMHF-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.29
Rot. Bonds6

About 2-[2-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanamine

2-[2-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 82155456) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 2-[2-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanamine
PubChem CID82155456
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name2-[2-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanamine
SMILESCC(C)c1ccc(CC(C)(C)c2nc(CCN)cs2)cc1
InChIInChI=1S/C18H26N2S/c1-13(2)15-7-5-14(6-8-15)11-18(3,4)17-20-16(9-10-19)12-21-17/h5-8,12-13H,9-11,19H2,1-4H3
InChIKeyMYWZQXRMCDCMHF-UHFFFAOYSA-N
XLogP4.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[1-(3-fluorophenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine
CID 82155466
2-[2-[1-(3-ethyl-4-methoxyphenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine
CID 94760893
2-[2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82484829
1-(2-methyl-2-phenylpropyl)-4-propan-2-ylbenzene
CID 57304715
2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 116779537
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943
4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888399
4-(2-chloroethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 82091885
[2-(1-amino-2-methylpropan-2-yl)-1,3-thiazol-4-yl]methanol
CID 82504324
1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene
CID 163531384
2-(2-chloro-1,3-thiazol-4-yl)ethanamine
CID 70439393
(1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 104862911

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanamine (CID 82155456) is 2-[2-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanamine is CC(C)c1ccc(CC(C)(C)c2nc(CCN)cs2)cc1.
What is the InChIKey of 2-[2-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is MYWZQXRMCDCMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-13(2)15-7-5-14(6-8-15)11-18(3,4)17-20-16(9-10-19)12-21-17/h5-8,12-13H,9-11,19H2,1-4H3.
What are the key properties of 2-[2-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanamine?
2-[2-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 302.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 82155456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).