4-chloro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide

C19H15ClN2O2S — CID 4107570

IUPAC4-chloro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
SMILESCOc1ccc2c(c1)-c1nc(NC(=O)c3ccc(Cl)cc3)sc1CC2
InChIInChI=1S/C19H15ClN2O2S/c1-24-14-8-4-11-5-9-16-17(15(11)10-14)21-19(25-16)22-18(23)12-2-6-13(20)7-3-12/h2-4,6-8,10H,5,9H2,1H3,(H,21,22,23)
InChIKeyMJNPLQJFUDZGCM-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.82
Rot. Bonds3

About 4-chloro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide

4-chloro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide (PubChem CID 4107570) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is 4-chloro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
PubChem CID4107570
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name4-chloro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
SMILESCOc1ccc2c(c1)-c1nc(NC(=O)c3ccc(Cl)cc3)sc1CC2
InChIInChI=1S/C19H15ClN2O2S/c1-24-14-8-4-11-5-9-16-17(15(11)10-14)21-19(25-16)22-18(23)12-2-6-13(20)7-3-12/h2-4,6-8,10H,5,9H2,1H3,(H,21,22,23)
InChIKeyMJNPLQJFUDZGCM-UHFFFAOYSA-N
XLogP4.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-N-(6-methoxy-8H-indeno[1,2-d]thiazol-2-yl)benzamide
CID 1078725
N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-4-chlorobenzamide
CID 2329166
N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-methylbenzamide
CID 3553484
3-chloro-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide
CID 4102914
3-Bromo-N-{8-methoxy-4H,5H-naphtho[1,2-D][1,3]thiazol-2-YL}benzamide
CID 4107571
N-{8-Methoxy-4H,5H-naphtho[1,2-D][1,3]thiazol-2-YL}-4-methylbenzamide
CID 4107575
2-fluoro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 4107580
5-Chloro-2-methoxy-N-{8-methoxy-4H,5H-naphtho[1,2-D][1,3]thiazol-2-YL}benzamide
CID 4107581
3-Bromo-4-methoxy-N-{8-methoxy-4H,5H-naphtho[1,2-D][1,3]thiazol-2-YL}benzamide
CID 16012595
N-[5-(4-chlorobenzoyl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 162673838
N-(4,5-dihydronaphtho[1,2-d]thiazol-2-yl)-2,6-dimethoxybenzamide
CID 1160713
N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
CID 701749

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide (CID 4107570) is 4-chloro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide is COc1ccc2c(c1)-c1nc(NC(=O)c3ccc(Cl)cc3)sc1CC2.
What is the InChIKey of 4-chloro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
The InChIKey is MJNPLQJFUDZGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c1-24-14-8-4-11-5-9-16-17(15(11)10-14)21-19(25-16)22-18(23)12-2-6-13(20)7-3-12/h2-4,6-8,10H,5,9H2,1H3,(H,21,22,23).
What are the key properties of 4-chloro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
4-chloro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide has a molecular weight of 370.86 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide is sourced from PubChem (CID 4107570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).