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

C16H22N2S — CID 82103427

IUPACN-[(4-methylphenyl)methyl]-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
SMILESCc1ccc(CNCCc2nc(C(C)C)cs2)cc1
InChIInChI=1S/C16H22N2S/c1-12(2)15-11-19-16(18-15)8-9-17-10-14-6-4-13(3)5-7-14/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyFKXMPDHLPPVABO-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.91
Rot. Bonds6

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

N-[(4-methylphenyl)methyl]-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine (PubChem CID 82103427) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
PubChem CID82103427
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[(4-methylphenyl)methyl]-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
SMILESCc1ccc(CNCCc2nc(C(C)C)cs2)cc1
InChIInChI=1S/C16H22N2S/c1-12(2)15-11-19-16(18-15)8-9-17-10-14-6-4-13(3)5-7-14/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyFKXMPDHLPPVABO-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55027046
N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 82102841
N',N'-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 82103483
2-(4-methyl-1,3-thiazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 60956803
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 82102878
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 60761621
2-(2-phenylethyl)-4-propan-2-yl-1,3-thiazole
CID 115618223
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 60760627
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 110441243
1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 64545487
4-[[2-(4-tert-butyl-1,3-thiazol-2-yl)ethylamino]methyl]benzonitrile
CID 119123789
2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole
CID 113415629

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine (CID 82103427) is N-[(4-methylphenyl)methyl]-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine is Cc1ccc(CNCCc2nc(C(C)C)cs2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is FKXMPDHLPPVABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12(2)15-11-19-16(18-15)8-9-17-10-14-6-4-13(3)5-7-14/h4-7,11-12,17H,8-10H2,1-3H3.
What are the key properties of N-[(4-methylphenyl)methyl]-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine?
N-[(4-methylphenyl)methyl]-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 274.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 82103427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).