N-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide

C18H17N3O2S — CID 18134779

IUPACN-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
SMILESO=C(Cc1ccccc1)NCCC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C18H17N3O2S/c22-16(21-18-20-14-8-4-5-9-15(14)24-18)10-11-19-17(23)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,23)(H,20,21,22)
InChIKeySQQNVMMTEFZIRB-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.98
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide

N-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 18134779) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
PubChem CID18134779
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
SMILESO=C(Cc1ccccc1)NCCC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C18H17N3O2S/c22-16(21-18-20-14-8-4-5-9-15(14)24-18)10-11-19-17(23)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,23)(H,20,21,22)
InChIKeySQQNVMMTEFZIRB-UHFFFAOYSA-N
XLogP2.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide
CID 53439401
N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 51284522
N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide
CID 79198900
6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoate
CID 2063722
N-(1,3-benzothiazol-2-yl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 126478675
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18134838
3-(4-aminophenyl)-N-(1,3-benzothiazol-2-yl)propanamide
CID 61037275
N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 43064333
N-[2-[3-(1,3-benzothiazol-2-ylamino)anilino]-2-oxoethyl]-2-phenylacetamide
CID 51125990
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
CID 91592084
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide (CID 18134779) is N-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide is O=C(Cc1ccccc1)NCCC(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is SQQNVMMTEFZIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-16(21-18-20-14-8-4-5-9-15(14)24-18)10-11-19-17(23)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,23)(H,20,21,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide?
N-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 339.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 18134779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).