N-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine

C15H15Cl2N3S — CID 3788436

IUPACN-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(NN=C3CCCCC3)n2)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3S/c16-10-6-7-12(13(17)8-10)14-9-21-15(18-14)20-19-11-4-2-1-3-5-11/h6-9H,1-5H2,(H,18,20)
InChIKeyWVRJYKWDVYLJTE-UHFFFAOYSA-N
MW340.28 g/mol
LogP5.85
Rot. Bonds3

About N-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine

N-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine (PubChem CID 3788436) has the molecular formula C15H15Cl2N3S and a molecular weight of 340.28 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
PubChem CID3788436
Molecular FormulaC15H15Cl2N3S
Molecular Weight340.28 g/mol
Exact Mass339.04
IUPAC NameN-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(NN=C3CCCCC3)n2)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3S/c16-10-6-7-12(13(17)8-10)14-9-21-15(18-14)20-19-11-4-2-1-3-5-11/h6-9H,1-5H2,(H,18,20)
InChIKeyWVRJYKWDVYLJTE-UHFFFAOYSA-N
XLogP5.85
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.28
LogP ≤ 55.85
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-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine (CID 3788436) is N-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine is Clc1ccc(-c2csc(NN=C3CCCCC3)n2)c(Cl)c1.
What is the InChIKey of N-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is WVRJYKWDVYLJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3S/c16-10-6-7-12(13(17)8-10)14-9-21-15(18-14)20-19-11-4-2-1-3-5-11/h6-9H,1-5H2,(H,18,20).
What are the key properties of N-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine?
N-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 340.28 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3788436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).