1-(1,3-thiazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine

C14H18N2S — CID 115732227

IUPAC1-(1,3-thiazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
SMILESCc1cc(C)c(CNCc2cncs2)c(C)c1
InChIInChI=1S/C14H18N2S/c1-10-4-11(2)14(12(3)5-10)8-15-6-13-7-16-9-17-13/h4-5,7,9,15H,6,8H2,1-3H3
InChIKeyQRHCCQFABKXJCY-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.36
Rot. Bonds4

About 1-(1,3-thiazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine

1-(1,3-thiazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine (PubChem CID 115732227) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(1,3-thiazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-thiazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
PubChem CID115732227
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-(1,3-thiazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
SMILESCc1cc(C)c(CNCc2cncs2)c(C)c1
InChIInChI=1S/C14H18N2S/c1-10-4-11(2)14(12(3)5-10)8-15-6-13-7-16-9-17-13/h4-5,7,9,15H,6,8H2,1-3H3
InChIKeyQRHCCQFABKXJCY-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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Related Compounds

2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 115732273
1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589113
1-(3,5-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732390
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758662
1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589022
1-(2,4,6-trimethylphenyl)-N-trimethylsilylmethanamine
CID 11964134
2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115897921
2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol
CID 65108079
4,6-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine
CID 104577485
N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62758290
2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 115732274
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62759037

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
The IUPAC name of 1-(1,3-thiazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine (CID 115732227) is 1-(1,3-thiazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(1,3-thiazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(1,3-thiazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine is Cc1cc(C)c(CNCc2cncs2)c(C)c1.
What is the InChIKey of 1-(1,3-thiazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
The InChIKey is QRHCCQFABKXJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-4-11(2)14(12(3)5-10)8-15-6-13-7-16-9-17-13/h4-5,7,9,15H,6,8H2,1-3H3.
What are the key properties of 1-(1,3-thiazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine?
1-(1,3-thiazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]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 1-(1,3-thiazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine is sourced from PubChem (CID 115732227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).