2-[4-methyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine

C16H22N2S — CID 83970210

IUPAC2-[4-methyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCc1nc(CCN)sc1Cc1ccccc1C(C)C
InChIInChI=1S/C16H22N2S/c1-11(2)14-7-5-4-6-13(14)10-15-12(3)18-16(19-15)8-9-17/h4-7,11H,8-10,17H2,1-3H3
InChIKeyXVRVLLCCBAVNQN-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.67
Rot. Bonds5

About 2-[4-methyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine

2-[4-methyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 83970210) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-[4-methyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-methyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
PubChem CID83970210
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name2-[4-methyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCc1nc(CCN)sc1Cc1ccccc1C(C)C
InChIInChI=1S/C16H22N2S/c1-11(2)14-7-5-4-6-13(14)10-15-12(3)18-16(19-15)8-9-17/h4-7,11H,8-10,17H2,1-3H3
InChIKeyXVRVLLCCBAVNQN-UHFFFAOYSA-N
XLogP3.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 82054751
2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 82054706
2-[4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 94760741
4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine
CID 62066653
2-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 62923064
1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
N-[[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62830555
2-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide
CID 94265172
N-[[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404625
[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82425639
(2-propan-2-ylphenyl)methanamine
CID 15040708
2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine
CID 79154712

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-methyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine (CID 83970210) is 2-[4-methyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-methyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-methyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine is Cc1nc(CCN)sc1Cc1ccccc1C(C)C.
What is the InChIKey of 2-[4-methyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is XVRVLLCCBAVNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-11(2)14-7-5-4-6-13(14)10-15-12(3)18-16(19-15)8-9-17/h4-7,11H,8-10,17H2,1-3H3.
What are the key properties of 2-[4-methyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine?
2-[4-methyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 274.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 83970210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).