7-chloro-5-(4-methoxyphenyl)-1,5-dihydropyrido[2,3-e][1,4]thiazepin-2-one

C15H13ClN2O2S — CID 127038520

IUPAC7-chloro-5-(4-methoxyphenyl)-1,5-dihydropyrido[2,3-e][1,4]thiazepin-2-one
SMILESCOc1ccc(C2SCC(=O)Nc3ncc(Cl)cc32)cc1
InChIInChI=1S/C15H13ClN2O2S/c1-20-11-4-2-9(3-5-11)14-12-6-10(16)7-17-15(12)18-13(19)8-21-14/h2-7,14H,8H2,1H3,(H,17,18,19)
InChIKeyXIZDGKKYANPABC-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.52
Rot. Bonds2

About 7-chloro-5-(4-methoxyphenyl)-1,5-dihydropyrido[2,3-e][1,4]thiazepin-2-one

7-chloro-5-(4-methoxyphenyl)-1,5-dihydropyrido[2,3-e][1,4]thiazepin-2-one (PubChem CID 127038520) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 7-chloro-5-(4-methoxyphenyl)-1,5-dihydropyrido[2,3-e][1,4]thiazepin-2-one.

Molecular Properties

Compound Name7-chloro-5-(4-methoxyphenyl)-1,5-dihydropyrido[2,3-e][1,4]thiazepin-2-one
PubChem CID127038520
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name7-chloro-5-(4-methoxyphenyl)-1,5-dihydropyrido[2,3-e][1,4]thiazepin-2-one
SMILESCOc1ccc(C2SCC(=O)Nc3ncc(Cl)cc32)cc1
InChIInChI=1S/C15H13ClN2O2S/c1-20-11-4-2-9(3-5-11)14-12-6-10(16)7-17-15(12)18-13(19)8-21-14/h2-7,14H,8H2,1H3,(H,17,18,19)
InChIKeyXIZDGKKYANPABC-UHFFFAOYSA-N
XLogP3.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(5-chloro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44996135
N-{5-Chloro-3-[(E)-2-(4-methoxy-phenyl)-vinyl]-pyridin-2-yl}-guanidine
CID 44298507
2-(4-sec-butylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide
CID 2957131
3-[(3,5-Dichloropyridin-2-yl)amino]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 4398403
7-Chloro-5-(2-methoxyphenyl)-1,5-dihydropyrido[2,3-e][1,4]thiazepin-2-one
CID 127042798
5-[[4-[2-[(5-Chloro-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10091883
5-[[4-[2-[(3-Chloro-2-pyridinyl)-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10249916
7-Chloro-5-(2-ethoxyphenyl)-1,5-dihydropyrido[2,3-e][1,4]thiazepin-2-one
CID 127038221
(2E)-N-(5-chloropyridin-2-yl)-3-(2-methoxyphenyl)prop-2-enamide
CID 766786
N-(5-chloropyridin-2-yl)-2-(2,4-dimethylphenoxy)acetamide
CID 842951
(2E)-N-(5-Chloropyridin-2-YL)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5873443
(2E)-N-(5-chloropyridin-2-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5954197

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(4-methoxyphenyl)-1,5-dihydropyrido[2,3-e][1,4]thiazepin-2-one?
The IUPAC name of 7-chloro-5-(4-methoxyphenyl)-1,5-dihydropyrido[2,3-e][1,4]thiazepin-2-one (CID 127038520) is 7-chloro-5-(4-methoxyphenyl)-1,5-dihydropyrido[2,3-e][1,4]thiazepin-2-one.
What is the SMILES notation for 7-chloro-5-(4-methoxyphenyl)-1,5-dihydropyrido[2,3-e][1,4]thiazepin-2-one?
The canonical SMILES for 7-chloro-5-(4-methoxyphenyl)-1,5-dihydropyrido[2,3-e][1,4]thiazepin-2-one is COc1ccc(C2SCC(=O)Nc3ncc(Cl)cc32)cc1.
What is the InChIKey of 7-chloro-5-(4-methoxyphenyl)-1,5-dihydropyrido[2,3-e][1,4]thiazepin-2-one?
The InChIKey is XIZDGKKYANPABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-20-11-4-2-9(3-5-11)14-12-6-10(16)7-17-15(12)18-13(19)8-21-14/h2-7,14H,8H2,1H3,(H,17,18,19).
What are the key properties of 7-chloro-5-(4-methoxyphenyl)-1,5-dihydropyrido[2,3-e][1,4]thiazepin-2-one?
7-chloro-5-(4-methoxyphenyl)-1,5-dihydropyrido[2,3-e][1,4]thiazepin-2-one has a molecular weight of 320.80 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(4-methoxyphenyl)-1,5-dihydropyrido[2,3-e][1,4]thiazepin-2-one is sourced from PubChem (CID 127038520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).