4-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-N-phenyl-1,3-thiazol-2-imine

C20H21ClN4S — CID 1237073

IUPAC4-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-N-phenyl-1,3-thiazol-2-imine
SMILESCN1CCN(n2c(-c3ccc(Cl)cc3)cs/c2=N\c2ccccc2)CC1
InChIInChI=1S/C20H21ClN4S/c1-23-11-13-24(14-12-23)25-19(16-7-9-17(21)10-8-16)15-26-20(25)22-18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3/b22-20-
InChIKeyOSLRSKPEFZULFJ-XDOYNYLZSA-N
MW384.94 g/mol
LogP3.99
Rot. Bonds3

About 4-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-N-phenyl-1,3-thiazol-2-imine

4-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-N-phenyl-1,3-thiazol-2-imine (PubChem CID 1237073) has the molecular formula C20H21ClN4S and a molecular weight of 384.94 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-N-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-N-phenyl-1,3-thiazol-2-imine
PubChem CID1237073
Molecular FormulaC20H21ClN4S
Molecular Weight384.94 g/mol
Exact Mass384.12
IUPAC Name4-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-N-phenyl-1,3-thiazol-2-imine
SMILESCN1CCN(n2c(-c3ccc(Cl)cc3)cs/c2=N\c2ccccc2)CC1
InChIInChI=1S/C20H21ClN4S/c1-23-11-13-24(14-12-23)25-19(16-7-9-17(21)10-8-16)15-26-20(25)22-18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3/b22-20-
InChIKeyOSLRSKPEFZULFJ-XDOYNYLZSA-N
XLogP3.99
TPSA23.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.94
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-N-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-N-phenyl-1,3-thiazol-2-imine (CID 1237073) is 4-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-N-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-N-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-N-phenyl-1,3-thiazol-2-imine is CN1CCN(n2c(-c3ccc(Cl)cc3)cs/c2=N\c2ccccc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-N-phenyl-1,3-thiazol-2-imine?
The InChIKey is OSLRSKPEFZULFJ-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H21ClN4S/c1-23-11-13-24(14-12-23)25-19(16-7-9-17(21)10-8-16)15-26-20(25)22-18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3/b22-20-.
What are the key properties of 4-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-N-phenyl-1,3-thiazol-2-imine?
4-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-N-phenyl-1,3-thiazol-2-imine has a molecular weight of 384.94 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-N-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 1237073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).