3-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]-N,N-dimethylpropan-1-amine

C20H22ClN3S — CID 1279760

IUPAC3-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C20H22ClN3S/c1-23(2)13-6-14-24-19(16-9-11-17(21)12-10-16)15-25-20(24)22-18-7-4-3-5-8-18/h3-5,7-12,15H,6,13-14H2,1-2H3/b22-20-
InChIKeyKUGBMOYLIHPSFR-XDOYNYLZSA-N
MW371.94 g/mol
LogP5.05
Rot. Bonds6

About 3-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]-N,N-dimethylpropan-1-amine

3-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]-N,N-dimethylpropan-1-amine (PubChem CID 1279760) has the molecular formula C20H22ClN3S and a molecular weight of 371.94 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]-N,N-dimethylpropan-1-amine
PubChem CID1279760
Molecular FormulaC20H22ClN3S
Molecular Weight371.94 g/mol
Exact Mass371.12
IUPAC Name3-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1
InChIInChI=1S/C20H22ClN3S/c1-23(2)13-6-14-24-19(16-9-11-17(21)12-10-16)15-25-20(24)22-18-7-4-3-5-8-18/h3-5,7-12,15H,6,13-14H2,1-2H3/b22-20-
InChIKeyKUGBMOYLIHPSFR-XDOYNYLZSA-N
XLogP5.05
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.94
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]-N,N-dimethylpropan-1-amine (CID 1279760) is 3-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is KUGBMOYLIHPSFR-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H22ClN3S/c1-23(2)13-6-14-24-19(16-9-11-17(21)12-10-16)15-25-20(24)22-18-7-4-3-5-8-18/h3-5,7-12,15H,6,13-14H2,1-2H3/b22-20-.
What are the key properties of 3-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]-N,N-dimethylpropan-1-amine?
3-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 371.94 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-2-phenylimino-1,3-thiazol-3-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 1279760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).