N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(3-pyridin-4-ylphenyl)methanamine

C18H19N3S — CID 75470714

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(3-pyridin-4-ylphenyl)methanamine
SMILESCc1nc(CN(C)Cc2cccc(-c3ccncc3)c2)cs1
InChIInChI=1S/C18H19N3S/c1-14-20-18(13-22-14)12-21(2)11-15-4-3-5-17(10-15)16-6-8-19-9-7-16/h3-10,13H,11-12H2,1-2H3
InChIKeyZXYHEYDJMUAXAV-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.15
Rot. Bonds5

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

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(3-pyridin-4-ylphenyl)methanamine (PubChem CID 75470714) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(3-pyridin-4-ylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(3-pyridin-4-ylphenyl)methanamine
PubChem CID75470714
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(3-pyridin-4-ylphenyl)methanamine
SMILESCc1nc(CN(C)Cc2cccc(-c3ccncc3)c2)cs1
InChIInChI=1S/C18H19N3S/c1-14-20-18(13-22-14)12-21(2)11-15-4-3-5-17(10-15)16-6-8-19-9-7-16/h3-10,13H,11-12H2,1-2H3
InChIKeyZXYHEYDJMUAXAV-UHFFFAOYSA-N
XLogP4.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(3-pyridin-4-ylphenyl)methanamine?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(3-pyridin-4-ylphenyl)methanamine (CID 75470714) is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(3-pyridin-4-ylphenyl)methanamine.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(3-pyridin-4-ylphenyl)methanamine?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(3-pyridin-4-ylphenyl)methanamine is Cc1nc(CN(C)Cc2cccc(-c3ccncc3)c2)cs1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(3-pyridin-4-ylphenyl)methanamine?
The InChIKey is ZXYHEYDJMUAXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-14-20-18(13-22-14)12-21(2)11-15-4-3-5-17(10-15)16-6-8-19-9-7-16/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(3-pyridin-4-ylphenyl)methanamine?
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(3-pyridin-4-ylphenyl)methanamine has a molecular weight of 309.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(3-pyridin-4-ylphenyl)methanamine is sourced from PubChem (CID 75470714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).