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

C14H18N2S — CID 114033795

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-(3-ethylphenyl)methanamine
SMILESCCc1cccc(C(N)c2sc(C)nc2C)c1
InChIInChI=1S/C14H18N2S/c1-4-11-6-5-7-12(8-11)13(15)14-9(2)16-10(3)17-14/h5-8,13H,4,15H2,1-3H3
InChIKeyONOUWVDOTPMLNT-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.37
Rot. Bonds3

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

(2,4-dimethyl-1,3-thiazol-5-yl)-(3-ethylphenyl)methanamine (PubChem CID 114033795) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-(3-ethylphenyl)methanamine.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-(3-ethylphenyl)methanamine
PubChem CID114033795
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-(3-ethylphenyl)methanamine
SMILESCCc1cccc(C(N)c2sc(C)nc2C)c1
InChIInChI=1S/C14H18N2S/c1-4-11-6-5-7-12(8-11)13(15)14-9(2)16-10(3)17-14/h5-8,13H,4,15H2,1-3H3
InChIKeyONOUWVDOTPMLNT-UHFFFAOYSA-N
XLogP3.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-(3-ethylphenyl)methanamine?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-(3-ethylphenyl)methanamine (CID 114033795) is (2,4-dimethyl-1,3-thiazol-5-yl)-(3-ethylphenyl)methanamine.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-(3-ethylphenyl)methanamine?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-(3-ethylphenyl)methanamine is CCc1cccc(C(N)c2sc(C)nc2C)c1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-(3-ethylphenyl)methanamine?
The InChIKey is ONOUWVDOTPMLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-4-11-6-5-7-12(8-11)13(15)14-9(2)16-10(3)17-14/h5-8,13H,4,15H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-(3-ethylphenyl)methanamine?
(2,4-dimethyl-1,3-thiazol-5-yl)-(3-ethylphenyl)methanamine has a molecular weight of 246.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-(3-ethylphenyl)methanamine is sourced from PubChem (CID 114033795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).