N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide

C19H18ClN3O3S — CID 46261537

IUPACN-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C19H18ClN3O3S/c1-25-16-5-3-13(20)11-15(16)21-18(24)12-2-4-14-17(10-12)27-19(22-14)23-6-8-26-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,24)
InChIKeyPTRCKNBEMILYGF-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.05
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 46261537) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
PubChem CID46261537
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C19H18ClN3O3S/c1-25-16-5-3-13(20)11-15(16)21-18(24)12-2-4-14-17(10-12)27-19(22-14)23-6-8-26-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,24)
InChIKeyPTRCKNBEMILYGF-UHFFFAOYSA-N
XLogP4.05
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 24793595
methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate
CID 46261528
N-(3-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 46261522
4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 46813412
N-[(4-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 20889729
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382
2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 17493258
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 7539074
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 20889779
4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 25499411
N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-ylbenzamide
CID 48980598
2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide
CID 17470104

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide (CID 46261537) is N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide is COc1ccc(Cl)cc1NC(=O)c1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is PTRCKNBEMILYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-25-16-5-3-13(20)11-15(16)21-18(24)12-2-4-14-17(10-12)27-19(22-14)23-6-8-26-9-7-23/h2-5,10-11H,6-9H2,1H3,(H,21,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 46261537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).