2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C20H14FN3O2S — CID 51367687

IUPAC2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c(F)c1
InChIInChI=1S/C20H14FN3O2S/c1-12-6-7-16(15(21)10-12)23-19-14(18(25)24-20-22-8-9-27-20)11-13-4-2-3-5-17(13)26-19/h2-11H,1H3,(H,22,24,25)/b23-19-
InChIKeyKQYDDVFUATUTLE-NMWGTECJSA-N
MW379.42 g/mol
LogP4.82
Rot. Bonds3

About 2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 51367687) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID51367687
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC Name2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c(F)c1
InChIInChI=1S/C20H14FN3O2S/c1-12-6-7-16(15(21)10-12)23-19-14(18(25)24-20-22-8-9-27-20)11-13-4-2-3-5-17(13)26-19/h2-11H,1H3,(H,22,24,25)/b23-19-
InChIKeyKQYDDVFUATUTLE-NMWGTECJSA-N
XLogP4.82
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367701
2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 5085744
2-(2-fluoro-4-methylphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367852
2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631679
N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 51367685
2-(4-methylsulfanylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367697
2-(4-chloro-3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367699
N-(2,4-dimethylphenyl)-2-(2-fluorophenyl)iminochromene-3-carboxamide
CID 51367934
2-(4-fluoro-2-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631668
6-bromo-2-(2-fluoro-4-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367462
2-(2-fluorophenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367722
2-(2,5-difluorophenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367635

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 51367687) is 2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is KQYDDVFUATUTLE-NMWGTECJSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c1-12-6-7-16(15(21)10-12)23-19-14(18(25)24-20-22-8-9-27-20)11-13-4-2-3-5-17(13)26-19/h2-11H,1H3,(H,22,24,25)/b23-19-.
What are the key properties of 2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 51367687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).