7-[(5-chlorothiadiazol-4-yl)methoxy]-2-methyl-3-phenoxychromen-4-one

C19H13ClN2O4S — CID 9319100

IUPAC7-[(5-chlorothiadiazol-4-yl)methoxy]-2-methyl-3-phenoxychromen-4-one
SMILESCc1oc2cc(OCc3nnsc3Cl)ccc2c(=O)c1Oc1ccccc1
InChIInChI=1S/C19H13ClN2O4S/c1-11-18(26-12-5-3-2-4-6-12)17(23)14-8-7-13(9-16(14)25-11)24-10-15-19(20)27-22-21-15/h2-9H,10H2,1H3
InChIKeyRNGQYTRRJUEHAU-UHFFFAOYSA-N
MW400.84 g/mol
LogP4.98
Rot. Bonds5

About 7-[(5-chlorothiadiazol-4-yl)methoxy]-2-methyl-3-phenoxychromen-4-one

7-[(5-chlorothiadiazol-4-yl)methoxy]-2-methyl-3-phenoxychromen-4-one (PubChem CID 9319100) has the molecular formula C19H13ClN2O4S and a molecular weight of 400.84 g/mol. Its IUPAC name is 7-[(5-chlorothiadiazol-4-yl)methoxy]-2-methyl-3-phenoxychromen-4-one.

Molecular Properties

Compound Name7-[(5-chlorothiadiazol-4-yl)methoxy]-2-methyl-3-phenoxychromen-4-one
PubChem CID9319100
Molecular FormulaC19H13ClN2O4S
Molecular Weight400.84 g/mol
Exact Mass400.03
IUPAC Name7-[(5-chlorothiadiazol-4-yl)methoxy]-2-methyl-3-phenoxychromen-4-one
SMILESCc1oc2cc(OCc3nnsc3Cl)ccc2c(=O)c1Oc1ccccc1
InChIInChI=1S/C19H13ClN2O4S/c1-11-18(26-12-5-3-2-4-6-12)17(23)14-8-7-13(9-16(14)25-11)24-10-15-19(20)27-22-21-15/h2-9H,10H2,1H3
InChIKeyRNGQYTRRJUEHAU-UHFFFAOYSA-N
XLogP4.98
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-Chlorothiadiazol-4-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate
CID 24495945
(5-Chlorothiadiazol-4-yl)methyl 4-(4-fluorophenoxy)benzoate
CID 24520839
[4-[(5-Chlorothiadiazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)methanone
CID 51110491
1-[2-[(5-Chlorothiadiazol-4-yl)methoxy]-4-fluorophenyl]ethanone
CID 75384581
1-[4-[(5-Chlorothiadiazol-4-yl)methoxy]phenyl]ethanone
CID 39991818
7-[(5-Chlorothiadiazol-4-yl)methoxy]-2-methyl-3-phenylchromen-4-one
CID 9438107
(5-Chlorothiadiazol-4-yl)methyl 2-[(3-methylphenyl)methoxy]benzoate
CID 29630062
(5-Chlorothiadiazol-4-yl)methyl 4-phenylmethoxybenzoate
CID 30497641
(5-Chlorothiadiazol-4-yl)methyl 2,3,4-trimethoxybenzoate
CID 37291845
1-[4-[(5-Chlorothiadiazol-4-yl)methoxy]phenyl]propan-1-one
CID 39991851
(5-Chlorothiadiazol-4-yl)methyl 2,6-dimethoxybenzoate
CID 46620533
2-[(5-Chlorothiadiazol-4-yl)methoxy]-4-methoxybenzamide
CID 47011252

Frequently Asked Questions

What is the IUPAC name of 7-[(5-chlorothiadiazol-4-yl)methoxy]-2-methyl-3-phenoxychromen-4-one?
The IUPAC name of 7-[(5-chlorothiadiazol-4-yl)methoxy]-2-methyl-3-phenoxychromen-4-one (CID 9319100) is 7-[(5-chlorothiadiazol-4-yl)methoxy]-2-methyl-3-phenoxychromen-4-one.
What is the SMILES notation for 7-[(5-chlorothiadiazol-4-yl)methoxy]-2-methyl-3-phenoxychromen-4-one?
The canonical SMILES for 7-[(5-chlorothiadiazol-4-yl)methoxy]-2-methyl-3-phenoxychromen-4-one is Cc1oc2cc(OCc3nnsc3Cl)ccc2c(=O)c1Oc1ccccc1.
What is the InChIKey of 7-[(5-chlorothiadiazol-4-yl)methoxy]-2-methyl-3-phenoxychromen-4-one?
The InChIKey is RNGQYTRRJUEHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O4S/c1-11-18(26-12-5-3-2-4-6-12)17(23)14-8-7-13(9-16(14)25-11)24-10-15-19(20)27-22-21-15/h2-9H,10H2,1H3.
What are the key properties of 7-[(5-chlorothiadiazol-4-yl)methoxy]-2-methyl-3-phenoxychromen-4-one?
7-[(5-chlorothiadiazol-4-yl)methoxy]-2-methyl-3-phenoxychromen-4-one has a molecular weight of 400.84 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-chlorothiadiazol-4-yl)methoxy]-2-methyl-3-phenoxychromen-4-one is sourced from PubChem (CID 9319100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).