N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine

C21H20N4S — CID 110535093

IUPACN-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(N/N=C\c3c(C)n(C)c4ccccc34)n2)cc1
InChIInChI=1S/C21H20N4S/c1-14-8-10-16(11-9-14)19-13-26-21(23-19)24-22-12-18-15(2)25(3)20-7-5-4-6-17(18)20/h4-13H,1-3H3,(H,23,24)/b22-12-
InChIKeyQSVVIPLWXRFUJO-UUYOSTAYSA-N
MW360.49 g/mol
LogP5.36
Rot. Bonds4

About N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine

N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 110535093) has the molecular formula C21H20N4S and a molecular weight of 360.49 g/mol. Its IUPAC name is N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID110535093
Molecular FormulaC21H20N4S
Molecular Weight360.49 g/mol
Exact Mass360.14
IUPAC NameN-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(N/N=C\c3c(C)n(C)c4ccccc34)n2)cc1
InChIInChI=1S/C21H20N4S/c1-14-8-10-16(11-9-14)19-13-26-21(23-19)24-22-12-18-15(2)25(3)20-7-5-4-6-17(18)20/h4-13H,1-3H3,(H,23,24)/b22-12-
InChIKeyQSVVIPLWXRFUJO-UUYOSTAYSA-N
XLogP5.36
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.49
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_A(11)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 110532079
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 110536077
N-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 74220639
4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 6308176
4-(2,4-dimethylphenyl)-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 110533181
4-(4-chlorophenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 110534611
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 135719316
N-(anthracen-9-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 3345194
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 42336365
N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 110538665
N-[(E)-(1-cyclopropylbenzimidazol-2-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 171391994
4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6004442

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine (CID 110535093) is N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(-c2csc(N/N=C\c3c(C)n(C)c4ccccc34)n2)cc1.
What is the InChIKey of N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is QSVVIPLWXRFUJO-UUYOSTAYSA-N. The full InChI is InChI=1S/C21H20N4S/c1-14-8-10-16(11-9-14)19-13-26-21(23-19)24-22-12-18-15(2)25(3)20-7-5-4-6-17(18)20/h4-13H,1-3H3,(H,23,24)/b22-12-.
What are the key properties of N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 360.49 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 110535093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).