N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide

C19H27N3O2S — CID 7622932

IUPACN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide
SMILESCCCC(=O)N(CCN1CCOCC1)c1nc2c(C)c(C)ccc2s1
InChIInChI=1S/C19H27N3O2S/c1-4-5-17(23)22(9-8-21-10-12-24-13-11-21)19-20-18-15(3)14(2)6-7-16(18)25-19/h6-7H,4-5,8-13H2,1-3H3
InChIKeyBSHBCULCTPATIQ-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.38
Rot. Bonds6

About N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 7622932) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide
PubChem CID7622932
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide
SMILESCCCC(=O)N(CCN1CCOCC1)c1nc2c(C)c(C)ccc2s1
InChIInChI=1S/C19H27N3O2S/c1-4-5-17(23)22(9-8-21-10-12-24-13-11-21)19-20-18-15(3)14(2)6-7-16(18)25-19/h6-7H,4-5,8-13H2,1-3H3
InChIKeyBSHBCULCTPATIQ-UHFFFAOYSA-N
XLogP3.38
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 7615538
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 43998379
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44900552
5-bromo-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 29138649
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 7622925
N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide
CID 7622272
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide
CID 43997630
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide
CID 29073460
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,4-difluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 43997420
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138694
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30715487
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 18583478

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide (CID 7622932) is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide is CCCC(=O)N(CCN1CCOCC1)c1nc2c(C)c(C)ccc2s1.
What is the InChIKey of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide?
The InChIKey is BSHBCULCTPATIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-4-5-17(23)22(9-8-21-10-12-24-13-11-21)19-20-18-15(3)14(2)6-7-16(18)25-19/h6-7H,4-5,8-13H2,1-3H3.
What are the key properties of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide?
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 361.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 7622932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).