6-chloro-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C19H11ClFN3O2S — CID 4102510

IUPAC6-chloro-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)cc1
InChIInChI=1S/C19H11ClFN3O2S/c20-12-1-6-16-11(9-12)10-15(17(25)24-19-22-7-8-27-19)18(26-16)23-14-4-2-13(21)3-5-14/h1-10H,(H,22,24,25)/b23-18-
InChIKeyCXPDCRPZOYYWAL-NKFKGCMQSA-N
MW399.83 g/mol
LogP5.17
Rot. Bonds3

About 6-chloro-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

6-chloro-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 4102510) has the molecular formula C19H11ClFN3O2S and a molecular weight of 399.83 g/mol. Its IUPAC name is 6-chloro-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID4102510
Molecular FormulaC19H11ClFN3O2S
Molecular Weight399.83 g/mol
Exact Mass399.02
IUPAC Name6-chloro-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)cc1
InChIInChI=1S/C19H11ClFN3O2S/c20-12-1-6-16-11(9-12)10-15(17(25)24-19-22-7-8-27-19)18(26-16)23-14-4-2-13(21)3-5-14/h1-10H,(H,22,24,25)/b23-18-
InChIKeyCXPDCRPZOYYWAL-NKFKGCMQSA-N
XLogP5.17
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.83
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-oxo-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 780578
5-chloro-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 1124061
(2Z)-2-[(4-fluorophenyl)imino]-8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 4248630
(2Z)-8-methoxy-N-(1,3-thiazol-2-yl)-2-{[3-(trifluoromethyl)phenyl]imino}-2H-chromene-3-carboxamide
CID 4248633
(2Z)-8-Ethoxy-2-[(4-fluorophenyl)imino]-N-(1,3-thiazol-2-YL)-2H-chromene-3-carboxamide
CID 4253099
(2Z)-8-Ethoxy-N-(1,3-thiazol-2-YL)-2-{[3-(trifluoromethyl)phenyl]imino}-2H-chromene-3-carboxamide
CID 4253231
(2Z)-2-[(4-Fluorophenyl)imino]-6-nitro-N-(1,3-thiazol-2-YL)-2H-chromene-3-carboxamide
CID 4688784
(2Z)-2-[(4-fluorophenyl)imino]-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 5085749
(2Z)-N-(1,3-thiazol-2-yl)-2-{[3-(trifluoromethyl)phenyl]imino}-2H-chromene-3-carboxamide
CID 5085750
(2Z)-6-bromo-2-[(4-fluorophenyl)imino]-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 5171136
(2Z)-8-methoxy-2-[(4-methoxyphenyl)imino]-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 1157919
(2Z)-2-[(2,4-dimethylphenyl)imino]-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 4048860

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 6-chloro-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 4102510) is 6-chloro-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 6-chloro-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is O=C(Nc1nccs1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)cc1.
What is the InChIKey of 6-chloro-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is CXPDCRPZOYYWAL-NKFKGCMQSA-N. The full InChI is InChI=1S/C19H11ClFN3O2S/c20-12-1-6-16-11(9-12)10-15(17(25)24-19-22-7-8-27-19)18(26-16)23-14-4-2-13(21)3-5-14/h1-10H,(H,22,24,25)/b23-18-.
What are the key properties of 6-chloro-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
6-chloro-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 399.83 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 4102510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).