N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-amine

C20H18ClN3S — CID 24882160

IUPACN-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-amine
SMILESC/C(=N\Nc1csc(-c2ccc3c(c2)CCC3)n1)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3S/c1-13(14-7-9-18(21)10-8-14)23-24-19-12-25-20(22-19)17-6-5-15-3-2-4-16(15)11-17/h5-12,24H,2-4H2,1H3/b23-13+
InChIKeyQYJUUEJBVHPIPR-YDZHTSKRSA-N
MW367.91 g/mol
LogP5.79
Rot. Bonds4

About N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-amine

N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-amine (PubChem CID 24882160) has the molecular formula C20H18ClN3S and a molecular weight of 367.91 g/mol. Its IUPAC name is N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-amine
PubChem CID24882160
Molecular FormulaC20H18ClN3S
Molecular Weight367.91 g/mol
Exact Mass367.09
IUPAC NameN-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-amine
SMILESC/C(=N\Nc1csc(-c2ccc3c(c2)CCC3)n1)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3S/c1-13(14-7-9-18(21)10-8-14)23-24-19-12-25-20(22-19)17-6-5-15-3-2-4-16(15)11-17/h5-12,24H,2-4H2,1H3/b23-13+
InChIKeyQYJUUEJBVHPIPR-YDZHTSKRSA-N
XLogP5.79
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.91
LogP ≤ 55.79
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-amine?
The IUPAC name of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-amine (CID 24882160) is N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-amine.
What is the SMILES notation for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-amine?
The canonical SMILES for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-amine is C/C(=N\Nc1csc(-c2ccc3c(c2)CCC3)n1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-amine?
The InChIKey is QYJUUEJBVHPIPR-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H18ClN3S/c1-13(14-7-9-18(21)10-8-14)23-24-19-12-25-20(22-19)17-6-5-15-3-2-4-16(15)11-17/h5-12,24H,2-4H2,1H3/b23-13+.
What are the key properties of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-amine?
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-amine has a molecular weight of 367.91 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-amine is sourced from PubChem (CID 24882160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).