N-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine

C23H22N4S — CID 135600778

IUPACN-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCc1ccc(-c2cs/c(=N\c3ccc(C)cc3C)n2N=Cc2ccc[nH]2)cc1
InChIInChI=1S/C23H22N4S/c1-16-6-9-19(10-7-16)22-15-28-23(26-21-11-8-17(2)13-18(21)3)27(22)25-14-20-5-4-12-24-20/h4-15,24H,1-3H3/b25-14?,26-23-
InChIKeyIIJAEKQAQHIBAM-JQMFECEZSA-N
MW386.52 g/mol
LogP5.58
Rot. Bonds4

About N-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine

N-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 135600778) has the molecular formula C23H22N4S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID135600778
Molecular FormulaC23H22N4S
Molecular Weight386.52 g/mol
Exact Mass386.16
IUPAC NameN-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCc1ccc(-c2cs/c(=N\c3ccc(C)cc3C)n2N=Cc2ccc[nH]2)cc1
InChIInChI=1S/C23H22N4S/c1-16-6-9-19(10-7-16)22-15-28-23(26-21-11-8-17(2)13-18(21)3)27(22)25-14-20-5-4-12-24-20/h4-15,24H,1-3H3/b25-14?,26-23-
InChIKeyIIJAEKQAQHIBAM-JQMFECEZSA-N
XLogP5.58
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)-N-methyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135721992
N-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135610385
3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-4-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-imine
CID 2369883
N-(3,4-dichlorophenyl)-4-(4-nitrophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135847481
4-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135798931
4-[[2-(2,4-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135721919
N-(2,4-difluorophenyl)-4-(2,5-dimethoxyphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135759349
3-[(2,5-dimethylphenyl)methylideneamino]-N-(3-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine
CID 2472240
6-[2-(2,4-dimethylphenyl)imino-3-[(2,3,4-trihydroxyphenyl)methylideneamino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 135847417
(Z)-N-(2,4-dimethylphenyl)-3-[(Z)-quinolin-6-ylmethylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 6216176
N-(2,5-dimethylphenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-4-(4-phenylphenyl)-1,3-thiazol-2-imine
CID 23818633
4-(1-benzofuran-2-yl)-N-(2,4-dimethylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23993662

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine (CID 135600778) is N-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine is Cc1ccc(-c2cs/c(=N\c3ccc(C)cc3C)n2N=Cc2ccc[nH]2)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is IIJAEKQAQHIBAM-JQMFECEZSA-N. The full InChI is InChI=1S/C23H22N4S/c1-16-6-9-19(10-7-16)22-15-28-23(26-21-11-8-17(2)13-18(21)3)27(22)25-14-20-5-4-12-24-20/h4-15,24H,1-3H3/b25-14?,26-23-.
What are the key properties of N-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine?
N-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 386.52 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-(4-methylphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 135600778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).