N-(2,6-dimethylphenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine

C21H18N4OS — CID 23988522

IUPACN-(2,6-dimethylphenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCc1cccc(C)c1/N=c1\scc(-c2ccco2)n1N=Cc1ccncc1
InChIInChI=1S/C21H18N4OS/c1-15-5-3-6-16(2)20(15)24-21-25(23-13-17-8-10-22-11-9-17)18(14-27-21)19-7-4-12-26-19/h3-14H,1-2H3/b23-13?,24-21-
InChIKeyLJQRMSFLKFXFGO-HKQCODESSA-N
MW374.47 g/mol
LogP4.94
Rot. Bonds4

About N-(2,6-dimethylphenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine

N-(2,6-dimethylphenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23988522) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID23988522
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC NameN-(2,6-dimethylphenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCc1cccc(C)c1/N=c1\scc(-c2ccco2)n1N=Cc1ccncc1
InChIInChI=1S/C21H18N4OS/c1-15-5-3-6-16(2)20(15)24-21-25(23-13-17-8-10-22-11-9-17)18(14-27-21)19-7-4-12-26-19/h3-14H,1-2H3/b23-13?,24-21-
InChIKeyLJQRMSFLKFXFGO-HKQCODESSA-N
XLogP4.94
TPSA55.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.94
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-chlorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23791755
4-(furan-2-yl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23820197
4-(furan-2-yl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23768904
4-[[4-(furan-2-yl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135723360
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
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-[(2,5-dimethylphenyl)methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23965760
4-[[4-(furan-2-yl)-3-(naphthalen-1-ylmethylideneamino)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23827136
4-[[3-[(2,3-dihydroxyphenyl)methylideneamino]-4-(furan-2-yl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 135713273
4-(furan-2-yl)-3-[(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23992310

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-(2,6-dimethylphenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine (CID 23988522) is N-(2,6-dimethylphenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine is Cc1cccc(C)c1/N=c1\scc(-c2ccco2)n1N=Cc1ccncc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is LJQRMSFLKFXFGO-HKQCODESSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-15-5-3-6-16(2)20(15)24-21-25(23-13-17-8-10-22-11-9-17)18(14-27-21)19-7-4-12-26-19/h3-14H,1-2H3/b23-13?,24-21-.
What are the key properties of N-(2,6-dimethylphenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine?
N-(2,6-dimethylphenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 374.47 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23988522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).