6-bromo-2-(2-chlorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C19H11BrClN3O2S — CID 4049008

IUPAC6-bromo-2-(2-chlorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1Cl
InChIInChI=1S/C19H11BrClN3O2S/c20-12-5-6-16-11(9-12)10-13(17(25)24-19-22-7-8-27-19)18(26-16)23-15-4-2-1-3-14(15)21/h1-10H,(H,22,24,25)/b23-18-
InChIKeyQPSBDHJONAKUSR-NKFKGCMQSA-N
MW460.74 g/mol
LogP5.79
Rot. Bonds3

About 6-bromo-2-(2-chlorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

6-bromo-2-(2-chlorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 4049008) has the molecular formula C19H11BrClN3O2S and a molecular weight of 460.74 g/mol. Its IUPAC name is 6-bromo-2-(2-chlorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-(2-chlorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID4049008
Molecular FormulaC19H11BrClN3O2S
Molecular Weight460.74 g/mol
Exact Mass458.94
IUPAC Name6-bromo-2-(2-chlorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1Cl
InChIInChI=1S/C19H11BrClN3O2S/c20-12-5-6-16-11(9-12)10-13(17(25)24-19-22-7-8-27-19)18(26-16)23-15-4-2-1-3-14(15)21/h1-10H,(H,22,24,25)/b23-18-
InChIKeyQPSBDHJONAKUSR-NKFKGCMQSA-N
XLogP5.79
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.74
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-2-(3,5-dimethoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367492
6-bromo-2-(3-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367489
2-(5-chloro-2-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367701
N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 51367685
2-(4-chloro-3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367699
2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367687
2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 5085744
6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367429
6-bromo-2-(2-chlorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184810
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2-(2-methylphenyl)iminochromene-3-carboxamide
CID 45146514
2-(4-methylsulfanylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367697
2-(3-chlorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631655

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chlorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 6-bromo-2-(2-chlorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 4049008) is 6-bromo-2-(2-chlorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-(2-chlorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-(2-chlorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is O=C(Nc1nccs1)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1Cl.
What is the InChIKey of 6-bromo-2-(2-chlorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is QPSBDHJONAKUSR-NKFKGCMQSA-N. The full InChI is InChI=1S/C19H11BrClN3O2S/c20-12-5-6-16-11(9-12)10-13(17(25)24-19-22-7-8-27-19)18(26-16)23-15-4-2-1-3-14(15)21/h1-10H,(H,22,24,25)/b23-18-.
What are the key properties of 6-bromo-2-(2-chlorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
6-bromo-2-(2-chlorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 460.74 g/mol, XLogP of 5.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chlorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 4049008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).