(4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine

C13H16N2S — CID 43559043

IUPAC(4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCCc1ccc(C(N)c2ncc(C)s2)cc1
InChIInChI=1S/C13H16N2S/c1-3-10-4-6-11(7-5-10)12(14)13-15-8-9(2)16-13/h4-8,12H,3,14H2,1-2H3
InChIKeyMTKMIVXZZAXXKC-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.06
Rot. Bonds3

About (4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine

(4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 43559043) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is (4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID43559043
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name(4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCCc1ccc(C(N)c2ncc(C)s2)cc1
InChIInChI=1S/C13H16N2S/c1-3-10-4-6-11(7-5-10)12(14)13-15-8-9(2)16-13/h4-8,12H,3,14H2,1-2H3
InChIKeyMTKMIVXZZAXXKC-UHFFFAOYSA-N
XLogP3.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine
CID 43558963
(4-methylsulfanylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43558943
(5-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43559003
(3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559005
(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 42252000
(4-ethylphenyl)-(1,3-thiazol-4-yl)methanamine
CID 78923574
(4-ethylphenyl)-pyridazin-4-ylmethanamine
CID 105121539
2-(5-ethyl-2-pyridinyl)-5-methyl-1,3-thiazole
CID 150641298
(5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559026
3-(4-ethylphenyl)butan-2-amine
CID 66439374
(2-methyl-1,3-thiazol-5-yl)-(4-propylphenyl)methanamine
CID 114031639
(2,3-dichlorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559065

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine (CID 43559043) is (4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine is CCc1ccc(C(N)c2ncc(C)s2)cc1.
What is the InChIKey of (4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is MTKMIVXZZAXXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-3-10-4-6-11(7-5-10)12(14)13-15-8-9(2)16-13/h4-8,12H,3,14H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
(4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 232.35 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 43559043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).