N-(1,3-thiazol-2-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine

C14H18N2S — CID 60961813

IUPACN-(1,3-thiazol-2-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(CNCc2nccs2)cc1C
InChIInChI=1S/C14H18N2S/c1-10-6-12(3)13(7-11(10)2)8-15-9-14-16-4-5-17-14/h4-7,15H,8-9H2,1-3H3
InChIKeyCHXAZIHLOCFSMT-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.36
Rot. Bonds4

About N-(1,3-thiazol-2-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine

N-(1,3-thiazol-2-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine (PubChem CID 60961813) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine
PubChem CID60961813
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-(1,3-thiazol-2-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(CNCc2nccs2)cc1C
InChIInChI=1S/C14H18N2S/c1-10-6-12(3)13(7-11(10)2)8-15-9-14-16-4-5-17-14/h4-7,15H,8-9H2,1-3H3
InChIKeyCHXAZIHLOCFSMT-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine (CID 60961813) is N-(1,3-thiazol-2-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine is Cc1cc(C)c(CNCc2nccs2)cc1C.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is CHXAZIHLOCFSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-6-12(3)13(7-11(10)2)8-15-9-14-16-4-5-17-14/h4-7,15H,8-9H2,1-3H3.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine?
N-(1,3-thiazol-2-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 246.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 60961813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).