1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]methanamine

C18H22N4S — CID 22196319

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]methanamine
SMILESCc1ccccc1-c1nc(CN(C)Cc2cn(C)nc2C)cs1
InChIInChI=1S/C18H22N4S/c1-13-7-5-6-8-17(13)18-19-16(12-23-18)11-21(3)9-15-10-22(4)20-14(15)2/h5-8,10,12H,9,11H2,1-4H3
InChIKeyGOENENMIWDPRFJ-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.79
Rot. Bonds5

About 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]methanamine

1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]methanamine (PubChem CID 22196319) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]methanamine
PubChem CID22196319
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]methanamine
SMILESCc1ccccc1-c1nc(CN(C)Cc2cn(C)nc2C)cs1
InChIInChI=1S/C18H22N4S/c1-13-7-5-6-8-17(13)18-19-16(12-23-18)11-21(3)9-15-10-22(4)20-14(15)2/h5-8,10,12H,9,11H2,1-4H3
InChIKeyGOENENMIWDPRFJ-UHFFFAOYSA-N
XLogP3.79
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]methanamine (CID 22196319) is 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]methanamine is Cc1ccccc1-c1nc(CN(C)Cc2cn(C)nc2C)cs1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]methanamine?
The InChIKey is GOENENMIWDPRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c1-13-7-5-6-8-17(13)18-19-16(12-23-18)11-21(3)9-15-10-22(4)20-14(15)2/h5-8,10,12H,9,11H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]methanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]methanamine has a molecular weight of 326.47 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]methanamine is sourced from PubChem (CID 22196319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).