4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide

C19H15ClN2O2S — CID 4103019

IUPAC4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
SMILESCOc1ccc2c(c1)CCc1sc(NC(=O)c3ccc(Cl)cc3)nc1-2
InChIInChI=1S/C19H15ClN2O2S/c1-24-14-7-8-15-12(10-14)4-9-16-17(15)21-19(25-16)22-18(23)11-2-5-13(20)6-3-11/h2-3,5-8,10H,4,9H2,1H3,(H,21,22,23)
InChIKeyOKEIEIXYDQDGRA-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.82
Rot. Bonds3

About 4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide

4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide (PubChem CID 4103019) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is 4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
PubChem CID4103019
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
SMILESCOc1ccc2c(c1)CCc1sc(NC(=O)c3ccc(Cl)cc3)nc1-2
InChIInChI=1S/C19H15ClN2O2S/c1-24-14-7-8-15-12(10-14)4-9-16-17(15)21-19(25-16)22-18(23)11-2-5-13(20)6-3-11/h2-3,5-8,10H,4,9H2,1H3,(H,21,22,23)
InChIKeyOKEIEIXYDQDGRA-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-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 126058168
2-fluoro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 1209992
2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide
CID 50939132
N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-nitrobenzamide
CID 126058605
N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide
CID 2727896
N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-methylbenzamide
CID 4107573
2,4-dichloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-6-methylbenzenesulfonamide
CID 10161374
2-chloro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-nitrobenzamide
CID 126065626
2-chloro-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-nitrobenzamide
CID 126059532
cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
CID 71595556
N-[6,8-dibromo-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-e][1,3]benzothiazol-2-yl]-4-methoxybenzamide
CID 155809959
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565109

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide (CID 4103019) is 4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide is COc1ccc2c(c1)CCc1sc(NC(=O)c3ccc(Cl)cc3)nc1-2.
What is the InChIKey of 4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
The InChIKey is OKEIEIXYDQDGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c1-24-14-7-8-15-12(10-14)4-9-16-17(15)21-19(25-16)22-18(23)11-2-5-13(20)6-3-11/h2-3,5-8,10H,4,9H2,1H3,(H,21,22,23).
What are the key properties of 4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide?
4-chloro-N-(7-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-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide is sourced from PubChem (CID 4103019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).