N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)iminochromene-3-carboxamide

C26H17Cl2N3O3S — CID 3303332

IUPACN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)iminochromene-3-carboxamide
SMILESCOc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1
InChIInChI=1S/C26H17Cl2N3O3S/c1-33-18-7-4-6-17(13-18)29-25-20(11-15-5-2-3-8-23(15)34-25)24(32)31-26-30-22(14-35-26)19-10-9-16(27)12-21(19)28/h2-14H,1H3,(H,30,31,32)/b29-25-
InChIKeySSSQCLMZNHYFQZ-GNVQSUKOSA-N
MW522.41 g/mol
LogP7.36
Rot. Bonds5

About N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)iminochromene-3-carboxamide

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)iminochromene-3-carboxamide (PubChem CID 3303332) has the molecular formula C26H17Cl2N3O3S and a molecular weight of 522.41 g/mol. Its IUPAC name is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)iminochromene-3-carboxamide
PubChem CID3303332
Molecular FormulaC26H17Cl2N3O3S
Molecular Weight522.41 g/mol
Exact Mass521.04
IUPAC NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)iminochromene-3-carboxamide
SMILESCOc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1
InChIInChI=1S/C26H17Cl2N3O3S/c1-33-18-7-4-6-17(13-18)29-25-20(11-15-5-2-3-8-23(15)34-25)24(32)31-26-30-22(14-35-26)19-10-9-16(27)12-21(19)28/h2-14H,1H3,(H,30,31,32)/b29-25-
InChIKeySSSQCLMZNHYFQZ-GNVQSUKOSA-N
XLogP7.36
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.41
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367823
6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide
CID 3577385
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 16911472
2,5-dichloro-N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 44916137
N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide
CID 3963313
6-bromo-2-(3-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367489
8-methoxy-2-(3-methylphenyl)imino-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide
CID 3993915
2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1134964
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 7213251
2-(4-chloro-3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367699
2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367843
2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368049

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)iminochromene-3-carboxamide?
The IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)iminochromene-3-carboxamide (CID 3303332) is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)iminochromene-3-carboxamide?
The canonical SMILES for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)iminochromene-3-carboxamide is COc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1.
What is the InChIKey of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)iminochromene-3-carboxamide?
The InChIKey is SSSQCLMZNHYFQZ-GNVQSUKOSA-N. The full InChI is InChI=1S/C26H17Cl2N3O3S/c1-33-18-7-4-6-17(13-18)29-25-20(11-15-5-2-3-8-23(15)34-25)24(32)31-26-30-22(14-35-26)19-10-9-16(27)12-21(19)28/h2-14H,1H3,(H,30,31,32)/b29-25-.
What are the key properties of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)iminochromene-3-carboxamide?
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)iminochromene-3-carboxamide has a molecular weight of 522.41 g/mol, XLogP of 7.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 3303332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).