3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)chromen-2-imine

C21H12ClN3OS2 — CID 3537440

IUPAC3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)chromen-2-imine
SMILESClc1ccc(-c2csc(-c3cc4ccccc4oc3=Nc3nccs3)n2)cc1
InChIInChI=1S/C21H12ClN3OS2/c22-15-7-5-13(6-8-15)17-12-28-20(24-17)16-11-14-3-1-2-4-18(14)26-19(16)25-21-23-9-10-27-21/h1-12H
InChIKeyKBLYCXHVDYNMCI-UHFFFAOYSA-N
MW421.93 g/mol
LogP6.57
Rot. Bonds3

About 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)chromen-2-imine

3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)chromen-2-imine (PubChem CID 3537440) has the molecular formula C21H12ClN3OS2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)chromen-2-imine.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)chromen-2-imine
PubChem CID3537440
Molecular FormulaC21H12ClN3OS2
Molecular Weight421.93 g/mol
Exact Mass421.01
IUPAC Name3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)chromen-2-imine
SMILESClc1ccc(-c2csc(-c3cc4ccccc4oc3=Nc3nccs3)n2)cc1
InChIInChI=1S/C21H12ClN3OS2/c22-15-7-5-13(6-8-15)17-12-28-20(24-17)16-11-14-3-1-2-4-18(14)26-19(16)25-21-23-9-10-27-21/h1-12H
InChIKeyKBLYCXHVDYNMCI-UHFFFAOYSA-N
XLogP6.57
TPSA51.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.93
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(Z)-[3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]chromen-2-ylidene]amino]aniline
CID 6064024
3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-imine
CID 951201
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2-oxochromen-3-yl)benzamide
CID 2001935
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
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2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
CID 12621900
4-(6-chloro-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)-1,3-thiazole
CID 164723777
2-(5-chloro-2-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367701
N-(1,3-thiazol-2-yl)xanthen-9-imine
CID 56696208
4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline
CID 43667812
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
N,3-diphenylchromen-2-imine
CID 135029902
4-(1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)-1,3-thiazole
CID 146460725

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)chromen-2-imine?
The IUPAC name of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)chromen-2-imine (CID 3537440) is 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)chromen-2-imine.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)chromen-2-imine?
The canonical SMILES for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)chromen-2-imine is Clc1ccc(-c2csc(-c3cc4ccccc4oc3=Nc3nccs3)n2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)chromen-2-imine?
The InChIKey is KBLYCXHVDYNMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClN3OS2/c22-15-7-5-13(6-8-15)17-12-28-20(24-17)16-11-14-3-1-2-4-18(14)26-19(16)25-21-23-9-10-27-21/h1-12H.
What are the key properties of 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)chromen-2-imine?
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)chromen-2-imine has a molecular weight of 421.93 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)chromen-2-imine is sourced from PubChem (CID 3537440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).