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

C20H17ClN4S — CID 110533680

IUPAC4-(4-chlorophenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESCCn1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21
InChIInChI=1S/C20H17ClN4S/c1-2-25-12-15(17-5-3-4-6-19(17)25)11-22-24-20-23-18(13-26-20)14-7-9-16(21)10-8-14/h3-13H,2H2,1H3,(H,23,24)/b22-11-
InChIKeyMURVNSJZABTRAR-JJFYIABZSA-N
MW380.90 g/mol
LogP5.88
Rot. Bonds5

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

4-(4-chlorophenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 110533680) has the molecular formula C20H17ClN4S and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID110533680
Molecular FormulaC20H17ClN4S
Molecular Weight380.90 g/mol
Exact Mass380.09
IUPAC Name4-(4-chlorophenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
SMILESCCn1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21
InChIInChI=1S/C20H17ClN4S/c1-2-25-12-15(17-5-3-4-6-19(17)25)11-22-24-20-23-18(13-26-20)14-7-9-16(21)10-8-14/h3-13H,2H2,1H3,(H,23,24)/b22-11-
InChIKeyMURVNSJZABTRAR-JJFYIABZSA-N
XLogP5.88
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.90
LogP ≤ 55.88
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-(4-chlorophenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 110534611
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
1-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
CID 135607363
4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine
CID 2788394
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2845165
N-[(1-benzylindol-3-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 4288083
ethyl 2-[2-[(2Z)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110535347
N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
CID 40562842
N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 110535093
4-(4-chlorophenyl)-N-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110530317
4-(4-chlorophenyl)-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 73385550

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine (CID 110533680) is 4-(4-chlorophenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine is CCn1cc(/C=N\Nc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is MURVNSJZABTRAR-JJFYIABZSA-N. The full InChI is InChI=1S/C20H17ClN4S/c1-2-25-12-15(17-5-3-4-6-19(17)25)11-22-24-20-23-18(13-26-20)14-7-9-16(21)10-8-14/h3-13H,2H2,1H3,(H,23,24)/b22-11-.
What are the key properties of 4-(4-chlorophenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 380.90 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 110533680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).