3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide

C22H25N3O3S — CID 55596101

IUPAC3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1C
InChIInChI=1S/C22H25N3O3S/c1-15-4-3-5-19(16(15)2)28-11-8-21(26)23-17-6-7-18-20(14-17)29-22(24-18)25-9-12-27-13-10-25/h3-7,14H,8-13H2,1-2H3,(H,23,26)
InChIKeyYDRRLNDYAFZDTI-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.16
Rot. Bonds6

About 3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide

3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide (PubChem CID 55596101) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
PubChem CID55596101
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1C
InChIInChI=1S/C22H25N3O3S/c1-15-4-3-5-19(16(15)2)28-11-8-21(26)23-17-6-7-18-20(14-17)29-22(24-18)25-9-12-27-13-10-25/h3-7,14H,8-13H2,1-2H3,(H,23,26)
InChIKeyYDRRLNDYAFZDTI-UHFFFAOYSA-N
XLogP4.16
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-fluorophenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 55939739
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide
CID 43027638
4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 120594765
2,2-dimethyl-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]propanamide
CID 36803011
3-methoxy-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]benzamide
CID 17482439
2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide
CID 17470104
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56538097
N-[3-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589452
4-butoxy-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 46813412
3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 39761645
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180
3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
CID 24637733

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of 3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide (CID 55596101) is 3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for 3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide is Cc1cccc(OCCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1C.
What is the InChIKey of 3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is YDRRLNDYAFZDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-15-4-3-5-19(16(15)2)28-11-8-21(26)23-17-6-7-18-20(14-17)29-22(24-18)25-9-12-27-13-10-25/h3-7,14H,8-13H2,1-2H3,(H,23,26).
What are the key properties of 3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide?
3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 411.53 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 55596101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).