1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C17H16ClN3S — CID 71682791

IUPAC1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESClc1ccc(CN(Cc2cccnc2)Cc2nccs2)cc1
InChIInChI=1S/C17H16ClN3S/c18-16-5-3-14(4-6-16)11-21(13-17-20-8-9-22-17)12-15-2-1-7-19-10-15/h1-10H,11-13H2
InChIKeyKXQYVPUPJCXUCQ-UHFFFAOYSA-N
MW329.86 g/mol
LogP4.39
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 71682791) has the molecular formula C17H16ClN3S and a molecular weight of 329.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID71682791
Molecular FormulaC17H16ClN3S
Molecular Weight329.86 g/mol
Exact Mass329.08
IUPAC Name1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESClc1ccc(CN(Cc2cccnc2)Cc2nccs2)cc1
InChIInChI=1S/C17H16ClN3S/c18-16-5-3-14(4-6-16)11-21(13-17-20-8-9-22-17)12-15-2-1-7-19-10-15/h1-10H,11-13H2
InChIKeyKXQYVPUPJCXUCQ-UHFFFAOYSA-N
XLogP4.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.86
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
CID 2806768
4-[2-[5-(3-Chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
CID 16663206
5-(2-Chloro-4-pyridyl)-2-ethyl-4-(3-methylphenyl)-1,3-thiazole
CID 11674063
3-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]pyridine
CID 731349
4-[2-[6-(2-Chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
CID 16662871
Cyto7A5
CID 2725996
4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-2-propyl-pyridine
CID 2852359
[2-[6-(3-Chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
CID 56673923
2-(2-Chloro-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole
CID 57396574
1-(4-chlorophenyl)-N-[(5-nitrothiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 71682624
5-[[(4-Chlorophenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]thiophene-2-carbonitrile
CID 71682787
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 71682788

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 71682791) is 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is Clc1ccc(CN(Cc2cccnc2)Cc2nccs2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is KXQYVPUPJCXUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3S/c18-16-5-3-14(4-6-16)11-21(13-17-20-8-9-22-17)12-15-2-1-7-19-10-15/h1-10H,11-13H2.
What are the key properties of 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 329.86 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 71682791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).