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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Related Compounds

3-(4-Chlorophenyl)-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 23723163
3-(4-Chloro-phenyl)-5,6-dihydro-imidazo[2,1-b]thiazole
CID 73224
Diethyl{2-[4-phenyl-2-(phenylazamethylene)(1,3-thiazolin-3-yl)]ethyl}amine
CID 1537448
4-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-3-methyl-1,3-thiazol-2-imine
CID 155562852
4-[[4-(4-Chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
CID 156012141
3-[(2Z)-2-[(4-chlorophenyl)imino]-4-(4-fluorophenyl)-1,3-thiazol-3(2H)-yl]propan-1-ol
CID 1821636
N-(2-(3-Benzylthiazolidylidene))aniline
CID 115915
4-(2,4-dichlorophenyl)-3-(5-methylhexan-2-yl)-N-(2-methylphenyl)-1,3-thiazol-2-imine
CID 4174745
2-[(4-Chlorophenyl)azamethylene]-5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazolin e
CID 4478571
3-(Methylethyl)-4-phenyl-2-(phenylazamethylene)-1,3-thiazoline
CID 716478
4-Thiazolidinone, 3-(4-chlorophenethyl)-2-phenylimino-
CID 118666
(2z)-3-[2-(4-Chlorophenyl)ethyl]-2-[(3-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 118667

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).