2-methyl-3-(2-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]propan-1-amine

C18H22N4S — CID 119122355

IUPAC2-methyl-3-(2-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCc1nccn1CC(C)CNCc1cnc(-c2ccccc2)s1
InChIInChI=1S/C18H22N4S/c1-14(13-22-9-8-20-15(22)2)10-19-11-17-12-21-18(23-17)16-6-4-3-5-7-16/h3-9,12,14,19H,10-11,13H2,1-2H3
InChIKeyWAVUBRHFXXSCQM-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.74
Rot. Bonds7

About 2-methyl-3-(2-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]propan-1-amine

2-methyl-3-(2-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 119122355) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-methyl-3-(2-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(2-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID119122355
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC Name2-methyl-3-(2-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCc1nccn1CC(C)CNCc1cnc(-c2ccccc2)s1
InChIInChI=1S/C18H22N4S/c1-14(13-22-9-8-20-15(22)2)10-19-11-17-12-21-18(23-17)16-6-4-3-5-7-16/h3-9,12,14,19H,10-11,13H2,1-2H3
InChIKeyWAVUBRHFXXSCQM-UHFFFAOYSA-N
XLogP3.74
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-3-(2-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]propan-1-amine (CID 119122355) is 2-methyl-3-(2-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-(2-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-3-(2-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]propan-1-amine is Cc1nccn1CC(C)CNCc1cnc(-c2ccccc2)s1.
What is the InChIKey of 2-methyl-3-(2-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is WAVUBRHFXXSCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c1-14(13-22-9-8-20-15(22)2)10-19-11-17-12-21-18(23-17)16-6-4-3-5-7-16/h3-9,12,14,19H,10-11,13H2,1-2H3.
What are the key properties of 2-methyl-3-(2-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
2-methyl-3-(2-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 326.47 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 119122355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).