(E)-4-(3,4-dimethylphenyl)-3-[(E)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine

C20H23N3S2 — CID 6906250

IUPAC(E)-4-(3,4-dimethylphenyl)-3-[(E)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
SMILESCc1ccc(/C=N/n2c(-c3ccc(C)c(C)c3)cs/c2=N\C(C)C)s1
InChIInChI=1S/C20H23N3S2/c1-13(2)22-20-23(21-11-18-9-7-16(5)25-18)19(12-24-20)17-8-6-14(3)15(4)10-17/h6-13H,1-5H3/b21-11+,22-20-
InChIKeyADLHBAPPVOTZFV-GRWXYWTESA-N
MW369.56 g/mol
LogP5.39
Rot. Bonds4

About (E)-4-(3,4-dimethylphenyl)-3-[(E)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine

(E)-4-(3,4-dimethylphenyl)-3-[(E)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine (PubChem CID 6906250) has the molecular formula C20H23N3S2 and a molecular weight of 369.56 g/mol. Its IUPAC name is (E)-4-(3,4-dimethylphenyl)-3-[(E)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-4-(3,4-dimethylphenyl)-3-[(E)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
PubChem CID6906250
Molecular FormulaC20H23N3S2
Molecular Weight369.56 g/mol
Exact Mass369.13
IUPAC Name(E)-4-(3,4-dimethylphenyl)-3-[(E)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
SMILESCc1ccc(/C=N/n2c(-c3ccc(C)c(C)c3)cs/c2=N\C(C)C)s1
InChIInChI=1S/C20H23N3S2/c1-13(2)22-20-23(21-11-18-9-7-16(5)25-18)19(12-24-20)17-8-6-14(3)15(4)10-17/h6-13H,1-5H3/b21-11+,22-20-
InChIKeyADLHBAPPVOTZFV-GRWXYWTESA-N
XLogP5.39
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.56
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(furan-2-yl)-3-[(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23992310
N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23732679
4-(3,4-dichlorophenyl)-N-propan-2-yl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23770083
4-[[4-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135591982
4-(3,4-dimethylphenyl)-N-methyl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23852251
3-[(4-tert-butylphenyl)methylideneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-yl-1,3-thiazol-2-imine
CID 4848245
4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23855973
2-bromo-6-methoxy-4-[[4-(4-methylphenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135838830
3-[(4-phenyl-2-propan-2-ylimino-1,3-thiazol-3-yl)iminomethyl]benzene-1,2-diol
CID 135776272
6-[2-propan-2-ylimino-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23761990
3-[(2-iodophenyl)methylideneamino]-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23878396
3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23884154

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3,4-dimethylphenyl)-3-[(E)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine?
The IUPAC name of (E)-4-(3,4-dimethylphenyl)-3-[(E)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine (CID 6906250) is (E)-4-(3,4-dimethylphenyl)-3-[(E)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-4-(3,4-dimethylphenyl)-3-[(E)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for (E)-4-(3,4-dimethylphenyl)-3-[(E)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine is Cc1ccc(/C=N/n2c(-c3ccc(C)c(C)c3)cs/c2=N\C(C)C)s1.
What is the InChIKey of (E)-4-(3,4-dimethylphenyl)-3-[(E)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine?
The InChIKey is ADLHBAPPVOTZFV-GRWXYWTESA-N. The full InChI is InChI=1S/C20H23N3S2/c1-13(2)22-20-23(21-11-18-9-7-16(5)25-18)19(12-24-20)17-8-6-14(3)15(4)10-17/h6-13H,1-5H3/b21-11+,22-20-.
What are the key properties of (E)-4-(3,4-dimethylphenyl)-3-[(E)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine?
(E)-4-(3,4-dimethylphenyl)-3-[(E)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine has a molecular weight of 369.56 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3,4-dimethylphenyl)-3-[(E)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 6906250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).