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

C15H16ClN3S — CID 25193523

IUPAC4-(4-chlorophenyl)-N-(cyclohexylideneamino)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(NN=C3CCCCC3)n2)cc1
InChIInChI=1S/C15H16ClN3S/c16-12-8-6-11(7-9-12)14-10-20-15(17-14)19-18-13-4-2-1-3-5-13/h6-10H,1-5H2,(H,17,19)
InChIKeyDXJZMDHZORRCLP-UHFFFAOYSA-N
MW305.83 g/mol
LogP5.20
Rot. Bonds3

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

4-(4-chlorophenyl)-N-(cyclohexylideneamino)-1,3-thiazol-2-amine (PubChem CID 25193523) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(cyclohexylideneamino)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(cyclohexylideneamino)-1,3-thiazol-2-amine
PubChem CID25193523
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name4-(4-chlorophenyl)-N-(cyclohexylideneamino)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(NN=C3CCCCC3)n2)cc1
InChIInChI=1S/C15H16ClN3S/c16-12-8-6-11(7-9-12)14-10-20-15(17-14)19-18-13-4-2-1-3-5-13/h6-10H,1-5H2,(H,17,19)
InChIKeyDXJZMDHZORRCLP-UHFFFAOYSA-N
XLogP5.20
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.83
LogP ≤ 55.20
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 4-(4-chlorophenyl)-N-(cyclohexylideneamino)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(cyclohexylideneamino)-1,3-thiazol-2-amine (CID 25193523) is 4-(4-chlorophenyl)-N-(cyclohexylideneamino)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(cyclohexylideneamino)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(cyclohexylideneamino)-1,3-thiazol-2-amine is Clc1ccc(-c2csc(NN=C3CCCCC3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(cyclohexylideneamino)-1,3-thiazol-2-amine?
The InChIKey is DXJZMDHZORRCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c16-12-8-6-11(7-9-12)14-10-20-15(17-14)19-18-13-4-2-1-3-5-13/h6-10H,1-5H2,(H,17,19).
What are the key properties of 4-(4-chlorophenyl)-N-(cyclohexylideneamino)-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-(cyclohexylideneamino)-1,3-thiazol-2-amine has a molecular weight of 305.83 g/mol, XLogP of 5.20, 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-(cyclohexylideneamino)-1,3-thiazol-2-amine is sourced from PubChem (CID 25193523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).