N-(2-chlorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine

C20H15ClN4S2 — CID 23907971

IUPACN-(2-chlorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCC(=Nn1c(-c2cccs2)cs/c1=N\c1ccccc1Cl)c1ccncc1
InChIInChI=1S/C20H15ClN4S2/c1-14(15-8-10-22-11-9-15)24-25-18(19-7-4-12-26-19)13-27-20(25)23-17-6-3-2-5-16(17)21/h2-13H,1H3/b23-20-,24-14?
InChIKeyUCSCSXYOZDWMNX-YMSDURECSA-N
MW410.96 g/mol
LogP5.83
Rot. Bonds4

About N-(2-chlorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine

N-(2-chlorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23907971) has the molecular formula C20H15ClN4S2 and a molecular weight of 410.96 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23907971
Molecular FormulaC20H15ClN4S2
Molecular Weight410.96 g/mol
Exact Mass410.04
IUPAC NameN-(2-chlorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCC(=Nn1c(-c2cccs2)cs/c1=N\c1ccccc1Cl)c1ccncc1
InChIInChI=1S/C20H15ClN4S2/c1-14(15-8-10-22-11-9-15)24-25-18(19-7-4-12-26-19)13-27-20(25)23-17-6-3-2-5-16(17)21/h2-13H,1H3/b23-20-,24-14?
InChIKeyUCSCSXYOZDWMNX-YMSDURECSA-N
XLogP5.83
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.96
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2-chlorophenyl)ethylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23910396
N-(2,4-dimethylphenyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23935653
3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23740219
N-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23799743
N-(2,6-dimethylphenyl)-3-[1-(4-methyl-3-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23993638
N-(3,4-dimethylphenyl)-3-[1-(4-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23964786
3-(1,3-benzodioxol-5-ylmethylideneamino)-N-(2-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23987069
N-(2-chlorophenyl)-4-(furan-2-yl)-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23791755
3-(butan-2-ylideneamino)-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 3672467
4-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine
CID 23963655
4-[C-methyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]carbonimidoyl]benzonitrile
CID 23761472
4-[[4-(3-bromophenyl)-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23906380

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of N-(2-chlorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23907971) is N-(2-chlorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2-chlorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for N-(2-chlorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine is CC(=Nn1c(-c2cccs2)cs/c1=N\c1ccccc1Cl)c1ccncc1.
What is the InChIKey of N-(2-chlorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is UCSCSXYOZDWMNX-YMSDURECSA-N. The full InChI is InChI=1S/C20H15ClN4S2/c1-14(15-8-10-22-11-9-15)24-25-18(19-7-4-12-26-19)13-27-20(25)23-17-6-3-2-5-16(17)21/h2-13H,1H3/b23-20-,24-14?.
What are the key properties of N-(2-chlorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine?
N-(2-chlorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 410.96 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23907971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).