1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine

C11H16N4S — CID 105043561

IUPAC1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
SMILESCNC(c1cc(C)c(C)s1)c1cnnn1C
InChIInChI=1S/C11H16N4S/c1-7-5-10(16-8(7)2)11(12-3)9-6-13-14-15(9)4/h5-6,11-12H,1-4H3
InChIKeyPGNCGEREXVRXEL-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.80
Rot. Bonds3

About 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine

1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine (PubChem CID 105043561) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
PubChem CID105043561
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
SMILESCNC(c1cc(C)c(C)s1)c1cnnn1C
InChIInChI=1S/C11H16N4S/c1-7-5-10(16-8(7)2)11(12-3)9-6-13-14-15(9)4/h5-6,11-12H,1-4H3
InChIKeyPGNCGEREXVRXEL-UHFFFAOYSA-N
XLogP1.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 106464716
N-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043393
N-[(4,5-dimethylthiophen-2-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine
CID 114213501
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687189
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043613
1-(4,6-dimethyl-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114269405
N-methyl-1-(3-methyltriazol-4-yl)-1-(thiadiazol-4-yl)methanamine
CID 105184460
N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687181
1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114686909
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687673
1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043741
1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687790

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine (CID 105043561) is 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine is CNC(c1cc(C)c(C)s1)c1cnnn1C.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The InChIKey is PGNCGEREXVRXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7-5-10(16-8(7)2)11(12-3)9-6-13-14-15(9)4/h5-6,11-12H,1-4H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine has a molecular weight of 236.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 105043561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).