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

C13H16N2S — CID 104589113

IUPAC1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESCc1cccc(CNCc2cncs2)c1C
InChIInChI=1S/C13H16N2S/c1-10-4-3-5-12(11(10)2)6-14-7-13-8-15-9-16-13/h3-5,8-9,14H,6-7H2,1-2H3
InChIKeyQFCRDDPFAYNYFU-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.05
Rot. Bonds4

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

1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine (PubChem CID 104589113) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
PubChem CID104589113
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESCc1cccc(CNCc2cncs2)c1C
InChIInChI=1S/C13H16N2S/c1-10-4-3-5-12(11(10)2)6-14-7-13-8-15-9-16-13/h3-5,8-9,14H,6-7H2,1-2H3
InChIKeyQFCRDDPFAYNYFU-UHFFFAOYSA-N
XLogP3.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758358
2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 104589124
N-[2-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]acetamide
CID 115732622
1-(1,3-thiazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 115732227
1-(2,3-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103859223
1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732323
N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 107236288
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
CID 60669298
2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 115732273
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758662
1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589055
3-methyl-N-(1,3-thiazol-5-ylmethyl)pyridin-2-amine
CID 115735497

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine (CID 104589113) is 1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine is Cc1cccc(CNCc2cncs2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The InChIKey is QFCRDDPFAYNYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-4-3-5-12(11(10)2)6-14-7-13-8-15-9-16-13/h3-5,8-9,14H,6-7H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine has a molecular weight of 232.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine is sourced from PubChem (CID 104589113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).