N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide

C19H14N4O3S — CID 42954977

IUPACN-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
SMILESO=C1CCC2(C(=O)Nc3cccc(-c4nnco4)c3)Sc3ccccc3N12
InChIInChI=1S/C19H14N4O3S/c24-16-8-9-19(23(16)14-6-1-2-7-15(14)27-19)18(25)21-13-5-3-4-12(10-13)17-22-20-11-26-17/h1-7,10-11H,8-9H2,(H,21,25)
InChIKeyRMXLWONWZFZCCF-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.30
Rot. Bonds3

About N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide

N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide (PubChem CID 42954977) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
PubChem CID42954977
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC NameN-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
SMILESO=C1CCC2(C(=O)Nc3cccc(-c4nnco4)c3)Sc3ccccc3N12
InChIInChI=1S/C19H14N4O3S/c24-16-8-9-19(23(16)14-6-1-2-7-15(14)27-19)18(25)21-13-5-3-4-12(10-13)17-22-20-11-26-17/h1-7,10-11H,8-9H2,(H,21,25)
InChIKeyRMXLWONWZFZCCF-UHFFFAOYSA-N
XLogP3.30
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-morpholin-4-yl-3-pyridinyl)-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
CID 55497394
3-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-3-carboxamide
CID 63141616
(3aR)-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate
CID 2088768
7-chloro-1-oxo-N-pyridin-4-yl-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
CID 75405429
N-(4-acetyl-1,3-thiazol-2-yl)-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
CID 55457240
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
CID 55456793
methyl 4-methyl-3-[(1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carbonyl)amino]benzoate
CID 55457843
(3R)-1-(2-bromophenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 34411727
(3aS)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
CID 97185944
(3aR)-1-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
CID 51535561
3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 55049776
5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 60732690

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide?
The IUPAC name of N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide (CID 42954977) is N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide.
What is the SMILES notation for N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide?
The canonical SMILES for N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide is O=C1CCC2(C(=O)Nc3cccc(-c4nnco4)c3)Sc3ccccc3N12.
What is the InChIKey of N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide?
The InChIKey is RMXLWONWZFZCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c24-16-8-9-19(23(16)14-6-1-2-7-15(14)27-19)18(25)21-13-5-3-4-12(10-13)17-22-20-11-26-17/h1-7,10-11H,8-9H2,(H,21,25).
What are the key properties of N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide?
N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide is sourced from PubChem (CID 42954977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).