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

C20H21N3O4S — CID 24793595

IUPACN-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc3nc(N4CCOCC4)sc3c2)c1
InChIInChI=1S/C20H21N3O4S/c1-25-14-4-6-17(26-2)16(12-14)21-19(24)13-3-5-15-18(11-13)28-20(22-15)23-7-9-27-10-8-23/h3-6,11-12H,7-10H2,1-2H3,(H,21,24)
InChIKeyHYAUGZZXJBIFRI-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.40
Rot. Bonds5

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

N-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 24793595) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
PubChem CID24793595
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc3nc(N4CCOCC4)sc3c2)c1
InChIInChI=1S/C20H21N3O4S/c1-25-14-4-6-17(26-2)16(12-14)21-19(24)13-3-5-15-18(11-13)28-20(22-15)23-7-9-27-10-8-23/h3-6,11-12H,7-10H2,1-2H3,(H,21,24)
InChIKeyHYAUGZZXJBIFRI-UHFFFAOYSA-N
XLogP3.40
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 46261537
N-(3-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 46261522
methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate
CID 46261528
4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 46813412
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 118618781
3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide
CID 17482439
2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 17493258
1-(1,3-benzothiazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 43815637
(3,4-dimethoxyphenyl)-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7538977
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
N-(2,5-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 28572616
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)furan-3-carboxamide
CID 27021882

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide (CID 24793595) is N-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide is COc1ccc(OC)c(NC(=O)c2ccc3nc(N4CCOCC4)sc3c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is HYAUGZZXJBIFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-25-14-4-6-17(26-2)16(12-14)21-19(24)13-3-5-15-18(11-13)28-20(22-15)23-7-9-27-10-8-23/h3-6,11-12H,7-10H2,1-2H3,(H,21,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
N-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 24793595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).