N-(1,3-benzothiazol-2-yl)-3-[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]propanamide

C16H18N4O2S — CID 95124409

IUPACN-(1,3-benzothiazol-2-yl)-3-[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]propanamide
SMILESC[C@H](c1ccon1)N(C)CCC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C16H18N4O2S/c1-11(12-8-10-22-19-12)20(2)9-7-15(21)18-16-17-13-5-3-4-6-14(13)23-16/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,18,21)/t11-/m1/s1
InChIKeyKZIJKOJFNOJWOU-LLVKDONJSA-N
MW330.41 g/mol
LogP3.31
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-3-[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]propanamide

N-(1,3-benzothiazol-2-yl)-3-[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]propanamide (PubChem CID 95124409) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]propanamide
PubChem CID95124409
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]propanamide
SMILESC[C@H](c1ccon1)N(C)CCC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C16H18N4O2S/c1-11(12-8-10-22-19-12)20(2)9-7-15(21)18-16-17-13-5-3-4-6-14(13)23-16/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,18,21)/t11-/m1/s1
InChIKeyKZIJKOJFNOJWOU-LLVKDONJSA-N
XLogP3.31
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 108806837
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CID 53439401
N-(1,3-benzothiazol-2-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60691529
5-(1,3-benzothiazol-2-ylamino)-3-methyl-5-oxopentanoic acid
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N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 51284522
6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoate
CID 2063722
N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide
CID 79198900
N-(1,3-benzothiazol-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 8571614
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
1-(1,3-benzothiazol-2-yl)-3-[2-[butan-2-yl(methyl)amino]ethyl]urea
CID 51135284
N-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 8571563
(2S)-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]propanoic acid
CID 104876136

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]propanamide (CID 95124409) is N-(1,3-benzothiazol-2-yl)-3-[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]propanamide is C[C@H](c1ccon1)N(C)CCC(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]propanamide?
The InChIKey is KZIJKOJFNOJWOU-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-11(12-8-10-22-19-12)20(2)9-7-15(21)18-16-17-13-5-3-4-6-14(13)23-16/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,18,21)/t11-/m1/s1.
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]propanamide?
N-(1,3-benzothiazol-2-yl)-3-[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]propanamide has a molecular weight of 330.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]propanamide is sourced from PubChem (CID 95124409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).