[4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine

C14H18N2OS — CID 65472528

IUPAC[4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine
SMILESCc1cc(CN)cc(C)c1Oc1nc(C)c(C)s1
InChIInChI=1S/C14H18N2OS/c1-8-5-12(7-15)6-9(2)13(8)17-14-16-10(3)11(4)18-14/h5-6H,7,15H2,1-4H3
InChIKeyABPSJNIWPMRGGA-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.63
Rot. Bonds3

About [4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine

[4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine (PubChem CID 65472528) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine.

Molecular Properties

Compound Name[4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine
PubChem CID65472528
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine
SMILESCc1cc(CN)cc(C)c1Oc1nc(C)c(C)s1
InChIInChI=1S/C14H18N2OS/c1-8-5-12(7-15)6-9(2)13(8)17-14-16-10(3)11(4)18-14/h5-6H,7,15H2,1-4H3
InChIKeyABPSJNIWPMRGGA-UHFFFAOYSA-N
XLogP3.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine?
The IUPAC name of [4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine (CID 65472528) is [4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine.
What is the SMILES notation for [4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine?
The canonical SMILES for [4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine is Cc1cc(CN)cc(C)c1Oc1nc(C)c(C)s1.
What is the InChIKey of [4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine?
The InChIKey is ABPSJNIWPMRGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-8-5-12(7-15)6-9(2)13(8)17-14-16-10(3)11(4)18-14/h5-6H,7,15H2,1-4H3.
What are the key properties of [4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine?
[4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine has a molecular weight of 262.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3,5-dimethylphenyl]methanamine is sourced from PubChem (CID 65472528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).