4-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylbutanamide

C19H27N3O2S — CID 55864180

IUPAC4-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylbutanamide
SMILESCCCNC(=O)CN(CCC)C(=O)CCCc1nc2ccccc2s1
InChIInChI=1S/C19H27N3O2S/c1-3-12-20-17(23)14-22(13-4-2)19(24)11-7-10-18-21-15-8-5-6-9-16(15)25-18/h5-6,8-9H,3-4,7,10-14H2,1-2H3,(H,20,23)
InChIKeyYZHKADFAESXUCP-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.38
Rot. Bonds10

About 4-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylbutanamide

4-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylbutanamide (PubChem CID 55864180) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylbutanamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylbutanamide
PubChem CID55864180
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylbutanamide
SMILESCCCNC(=O)CN(CCC)C(=O)CCCc1nc2ccccc2s1
InChIInChI=1S/C19H27N3O2S/c1-3-12-20-17(23)14-22(13-4-2)19(24)11-7-10-18-21-15-8-5-6-9-16(15)25-18/h5-6,8-9H,3-4,7,10-14H2,1-2H3,(H,20,23)
InChIKeyYZHKADFAESXUCP-UHFFFAOYSA-N
XLogP3.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide
CID 78783707
3-[4-(1,3-benzothiazol-2-yl)butanoyl-ethylamino]propanoic acid
CID 119190925
4-(1,3-benzothiazol-2-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 51157146
3-(1,3-benzothiazol-2-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 32567705
3-(1,3-benzothiazol-2-yl)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
CID 52892082
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N',N'-dipropylpentanediamide
CID 56546359
4-(1,3-benzothiazol-2-yl)-N-[3-(N-ethylanilino)propyl]butanamide
CID 41278298
5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide
CID 119504813
4-[[4-(1,3-benzothiazol-2-yl)butanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
CID 56512435
4-(1,3-benzothiazol-2-yl)-N-[2-(1,3-benzothiazol-2-ylamino)ethyl]butanamide
CID 55601271
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-propylsulfonylacetamide
CID 86832012
3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]propanoic acid
CID 119177074

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylbutanamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylbutanamide (CID 55864180) is 4-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylbutanamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylbutanamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylbutanamide is CCCNC(=O)CN(CCC)C(=O)CCCc1nc2ccccc2s1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylbutanamide?
The InChIKey is YZHKADFAESXUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-3-12-20-17(23)14-22(13-4-2)19(24)11-7-10-18-21-15-8-5-6-9-16(15)25-18/h5-6,8-9H,3-4,7,10-14H2,1-2H3,(H,20,23).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylbutanamide?
4-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylbutanamide has a molecular weight of 361.51 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylbutanamide is sourced from PubChem (CID 55864180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).