N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine

C13H16N2S — CID 153380249

IUPACN-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2scnc2C)cc1
InChIInChI=1S/C13H16N2S/c1-3-14-8-11-4-6-12(7-5-11)13-10(2)15-9-16-13/h4-7,9,14H,3,8H2,1-2H3
InChIKeyXCRURGAUKNELQW-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.23
Rot. Bonds4

About N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine

N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine (PubChem CID 153380249) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine
PubChem CID153380249
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2scnc2C)cc1
InChIInChI=1S/C13H16N2S/c1-3-14-8-11-4-6-12(7-5-11)13-10(2)15-9-16-13/h4-7,9,14H,3,8H2,1-2H3
InChIKeyXCRURGAUKNELQW-UHFFFAOYSA-N
XLogP3.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride
CID 131801125
methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168910064
ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577
N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 155154777
(2S)-2-(methylamino)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanal
CID 166916364
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen
CID 178063099
ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid
CID 126602141
4-hydroxy-2-(methylamino)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pentanamide
CID 123660320
ethane;2-(ethylamino)-1-(3-hydroxypyrrolidin-1-yl)ethanone;2-methylpropane;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide
CID 166540468
2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol
CID 167256669
methyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate
CID 175819788

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine (CID 153380249) is N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2scnc2C)cc1.
What is the InChIKey of N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine?
The InChIKey is XCRURGAUKNELQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-3-14-8-11-4-6-12(7-5-11)13-10(2)15-9-16-13/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine?
N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine has a molecular weight of 232.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 153380249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).