4-(4-chlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-1,3-thiazol-2-amine

C18H14ClN3S — CID 70694969

IUPAC4-(4-chlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(N/N=C3\CCc4ccccc43)n2)cc1
InChIInChI=1S/C18H14ClN3S/c19-14-8-5-13(6-9-14)17-11-23-18(20-17)22-21-16-10-7-12-3-1-2-4-15(12)16/h1-6,8-9,11H,7,10H2,(H,20,22)/b21-16+
InChIKeyGEWNERSIKJBSAE-LTGZKZEYSA-N
MW339.85 g/mol
LogP5.23
Rot. Bonds3

About 4-(4-chlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-1,3-thiazol-2-amine (PubChem CID 70694969) has the molecular formula C18H14ClN3S and a molecular weight of 339.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-1,3-thiazol-2-amine
PubChem CID70694969
Molecular FormulaC18H14ClN3S
Molecular Weight339.85 g/mol
Exact Mass339.06
IUPAC Name4-(4-chlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(N/N=C3\CCc4ccccc43)n2)cc1
InChIInChI=1S/C18H14ClN3S/c19-14-8-5-13(6-9-14)17-11-23-18(20-17)22-21-16-10-7-12-3-1-2-4-15(12)16/h1-6,8-9,11H,7,10H2,(H,20,22)/b21-16+
InChIKeyGEWNERSIKJBSAE-LTGZKZEYSA-N
XLogP5.23
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.85
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-(4-chlorophenyl)thiazole
CID 73241
4-(2-Chlorophenyl)-1,3-thiazol-2-amine
CID 224764
4-(3-Chlorophenyl)thiazol-2-amine
CID 675261
2-(2-Cyclopentylidenehydrazinyl)-4-phenylthiazole
CID 584447
2-(2-Cyclohexylidenehydrazinyl)-4-phenylthiazole
CID 8443728
N-[(E)-benzylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 5331297
Tyrosinase-IN-12
CID 6322770
4-(4-Chlorophenyl)-2-(2-cyclopentylidenehydrazinyl)-1,3-thiazole
CID 25193530
4-(9H-fluoren-2-yl)-1,3-thiazol-2-amine
CID 736708
(2Z)-2-{2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}azepane
CID 2304117
2-(2-Cyclopentylidenehydrazinyl)-4-(2,4-dichlorophenyl)thiazole
CID 3670544
2-(2-Cyclohexylidenehydrazinyl)-4-(2,4-dichlorophenyl)thiazole
CID 3788436

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-1,3-thiazol-2-amine (CID 70694969) is 4-(4-chlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-1,3-thiazol-2-amine is Clc1ccc(-c2csc(N/N=C3\CCc4ccccc43)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-1,3-thiazol-2-amine?
The InChIKey is GEWNERSIKJBSAE-LTGZKZEYSA-N. The full InChI is InChI=1S/C18H14ClN3S/c19-14-8-5-13(6-9-14)17-11-23-18(20-17)22-21-16-10-7-12-3-1-2-4-15(12)16/h1-6,8-9,11H,7,10H2,(H,20,22)/b21-16+.
What are the key properties of 4-(4-chlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-1,3-thiazol-2-amine has a molecular weight of 339.85 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 70694969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).