1-(4-chlorophenyl)-N-[4-phenyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine

C18H12ClN5S — CID 141139183

IUPAC1-(4-chlorophenyl)-N-[4-phenyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine
SMILESClc1ccc(C=Nc2nc(-c3ccccc3)c(-n3cncn3)s2)cc1
InChIInChI=1S/C18H12ClN5S/c19-15-8-6-13(7-9-15)10-21-18-23-16(14-4-2-1-3-5-14)17(25-18)24-12-20-11-22-24/h1-12H
InChIKeyRABXCLKXCUUQAD-UHFFFAOYSA-N
MW365.85 g/mol
LogP4.79
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[4-phenyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine

1-(4-chlorophenyl)-N-[4-phenyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine (PubChem CID 141139183) has the molecular formula C18H12ClN5S and a molecular weight of 365.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-phenyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-phenyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine
PubChem CID141139183
Molecular FormulaC18H12ClN5S
Molecular Weight365.85 g/mol
Exact Mass365.05
IUPAC Name1-(4-chlorophenyl)-N-[4-phenyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine
SMILESClc1ccc(C=Nc2nc(-c3ccccc3)c(-n3cncn3)s2)cc1
InChIInChI=1S/C18H12ClN5S/c19-15-8-6-13(7-9-15)10-21-18-23-16(14-4-2-1-3-5-14)17(25-18)24-12-20-11-22-24/h1-12H
InChIKeyRABXCLKXCUUQAD-UHFFFAOYSA-N
XLogP4.79
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
CID 624007
1-(4-chlorophenyl)-N-(5-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methanimine
CID 23994402
1-alumanyl-N-[4-ethyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine
CID 163838805
(E)-1-(4-chlorophenyl)-N-(1,4-diphenylpyrazol-5-yl)methanimine
CID 50929865
4-chloro-N-[2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 135956722
3-(4-chlorophenyl)-1-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-en-1-one
CID 74376737
4-(2,5-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
CID 16741805
[5-[(4-chlorophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]-phenylmethanone
CID 25146454
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide
CID 16549214
(Z)-1-(4-chlorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9027661
(2E)-2-[(4-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
CID 7241004
5-benzoyl-1-[(E)-(4-chlorophenyl)methylideneamino]-4-phenylpyrimidin-2-one
CID 177437861

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-phenyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-phenyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine (CID 141139183) is 1-(4-chlorophenyl)-N-[4-phenyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-phenyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-phenyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine is Clc1ccc(C=Nc2nc(-c3ccccc3)c(-n3cncn3)s2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-phenyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine?
The InChIKey is RABXCLKXCUUQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5S/c19-15-8-6-13(7-9-15)10-21-18-23-16(14-4-2-1-3-5-14)17(25-18)24-12-20-11-22-24/h1-12H.
What are the key properties of 1-(4-chlorophenyl)-N-[4-phenyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine?
1-(4-chlorophenyl)-N-[4-phenyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine has a molecular weight of 365.85 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-phenyl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]methanimine is sourced from PubChem (CID 141139183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).