N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-propan-2-ylfuran-2-carboxamide

C17H17N3O3S — CID 112794144

IUPACN-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C17H17N3O3S/c1-10(2)20(9-15(18)21)17(22)13-8-7-12(23-13)16-19-11-5-3-4-6-14(11)24-16/h3-8,10H,9H2,1-2H3,(H2,18,21)
InChIKeyNSPHYJHAYGBYEZ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.89
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-propan-2-ylfuran-2-carboxamide

N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-propan-2-ylfuran-2-carboxamide (PubChem CID 112794144) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-propan-2-ylfuran-2-carboxamide
PubChem CID112794144
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C17H17N3O3S/c1-10(2)20(9-15(18)21)17(22)13-8-7-12(23-13)16-19-11-5-3-4-6-14(11)24-16/h3-8,10H,9H2,1-2H3,(H2,18,21)
InChIKeyNSPHYJHAYGBYEZ-UHFFFAOYSA-N
XLogP2.89
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide
CID 47110700
methyl 3-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]-methylamino]-2-methylpropanoate
CID 87017906
1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine
CID 170891330
5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
CID 9092602
5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 93255813
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate
CID 7743896
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate
CID 7743912
5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-3-phenylpropyl]furan-2-carboxamide
CID 55337342
methyl 6-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]hexanoate
CID 134014872
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969
4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide
CID 120559538
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 55728865

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-propan-2-ylfuran-2-carboxamide (CID 112794144) is N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-propan-2-ylfuran-2-carboxamide is CC(C)N(CC(N)=O)C(=O)c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is NSPHYJHAYGBYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-10(2)20(9-15(18)21)17(22)13-8-7-12(23-13)16-19-11-5-3-4-6-14(11)24-16/h3-8,10H,9H2,1-2H3,(H2,18,21).
What are the key properties of N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-propan-2-ylfuran-2-carboxamide?
N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 112794144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).