N-(2-chlorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine

C19H13ClN4OS — CID 23791755

IUPACN-(2-chlorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESClc1ccccc1/N=c1\scc(-c2ccco2)n1N=Cc1ccncc1
InChIInChI=1S/C19H13ClN4OS/c20-15-4-1-2-5-16(15)23-19-24(22-12-14-7-9-21-10-8-14)17(13-26-19)18-6-3-11-25-18/h1-13H/b22-12?,23-19-
InChIKeyLILSZZWKHVZHRG-DFYVMHMISA-N
MW380.86 g/mol
LogP4.97
Rot. Bonds4

About N-(2-chlorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine

N-(2-chlorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23791755) has the molecular formula C19H13ClN4OS and a molecular weight of 380.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23791755
Molecular FormulaC19H13ClN4OS
Molecular Weight380.86 g/mol
Exact Mass380.05
IUPAC NameN-(2-chlorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESClc1ccccc1/N=c1\scc(-c2ccco2)n1N=Cc1ccncc1
InChIInChI=1S/C19H13ClN4OS/c20-15-4-1-2-5-16(15)23-19-24(22-12-14-7-9-21-10-8-14)17(13-26-19)18-6-3-11-25-18/h1-13H/b22-12?,23-19-
InChIKeyLILSZZWKHVZHRG-DFYVMHMISA-N
XLogP4.97
TPSA55.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.86
LogP ≤ 54.97
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

N-(2-fluorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23994806
N-(2,6-dimethylphenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23988522
(E)-N-(3-chloro-2-methylphenyl)-4-(furan-2-yl)-3-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-imine
CID 135683982
4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23768904
4-(furan-2-yl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23820197
3-(1,3-benzodioxol-5-ylmethylideneamino)-N-(2-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23987069
4-[[4-(furan-2-yl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135723360
N-(3-chloro-2-methylphenyl)-4-(furan-2-yl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23988021
2-bromo-4-[[2-(2-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]-6-methoxyphenol
CID 135778689
N-(4-fluorophenyl)-4-(furan-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23822766
4-[[2-(4-fluorophenyl)imino-4-(furan-2-yl)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135832353
4-[[3-[[4-(dimethylamino)phenyl]methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23964463

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-(2-chlorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23791755) is N-(2-chlorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2-chlorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-(2-chlorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine is Clc1ccccc1/N=c1\scc(-c2ccco2)n1N=Cc1ccncc1.
What is the InChIKey of N-(2-chlorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is LILSZZWKHVZHRG-DFYVMHMISA-N. The full InChI is InChI=1S/C19H13ClN4OS/c20-15-4-1-2-5-16(15)23-19-24(22-12-14-7-9-21-10-8-14)17(13-26-19)18-6-3-11-25-18/h1-13H/b22-12?,23-19-.
What are the key properties of N-(2-chlorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
N-(2-chlorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 380.86 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23791755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).