1-(1,3-benzodioxole-5-carbonyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]azetidine-3-carboxamide

C19H15N3O5S — CID 71785385

IUPAC1-(1,3-benzodioxole-5-carbonyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]azetidine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)cs1)C1CN(C(=O)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C19H15N3O5S/c23-17(21-19-20-13(9-28-19)14-2-1-5-25-14)12-7-22(8-12)18(24)11-3-4-15-16(6-11)27-10-26-15/h1-6,9,12H,7-8,10H2,(H,20,21,23)
InChIKeySERUVYWPFSPIRI-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.84
Rot. Bonds4

About 1-(1,3-benzodioxole-5-carbonyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]azetidine-3-carboxamide

1-(1,3-benzodioxole-5-carbonyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]azetidine-3-carboxamide (PubChem CID 71785385) has the molecular formula C19H15N3O5S and a molecular weight of 397.41 g/mol. Its IUPAC name is 1-(1,3-benzodioxole-5-carbonyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxole-5-carbonyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]azetidine-3-carboxamide
PubChem CID71785385
Molecular FormulaC19H15N3O5S
Molecular Weight397.41 g/mol
Exact Mass397.07
IUPAC Name1-(1,3-benzodioxole-5-carbonyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]azetidine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)cs1)C1CN(C(=O)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C19H15N3O5S/c23-17(21-19-20-13(9-28-19)14-2-1-5-25-14)12-7-22(8-12)18(24)11-3-4-15-16(6-11)27-10-26-15/h1-6,9,12H,7-8,10H2,(H,20,21,23)
InChIKeySERUVYWPFSPIRI-UHFFFAOYSA-N
XLogP2.84
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,3-benzodioxole-5-carbonyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]azetidine-3-carboxamide
CID 90512954
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90511972
1-(1,3-benzodioxole-5-carbonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 71785433
1-(1,3-benzodioxole-5-carbonyl)-N-(4-carbamoylphenyl)azetidine-3-carboxamide
CID 90512981
(3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51949503
1-(1,3-benzodioxole-5-carbonyl)-N-(2-phenylphenyl)azetidine-3-carboxamide
CID 90512838
(1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
CID 51949489
1-(1,3-benzodioxole-5-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
CID 90512913
1-(1,3-benzodioxole-5-carbonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90512891
1,3-benzodioxol-5-yl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 18569361
1-(1,3-benzodioxole-5-carbonyl)-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
CID 90512866
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 51189301

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxole-5-carbonyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]azetidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxole-5-carbonyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]azetidine-3-carboxamide (CID 71785385) is 1-(1,3-benzodioxole-5-carbonyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]azetidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxole-5-carbonyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]azetidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxole-5-carbonyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]azetidine-3-carboxamide is O=C(Nc1nc(-c2ccco2)cs1)C1CN(C(=O)c2ccc3c(c2)OCO3)C1.
What is the InChIKey of 1-(1,3-benzodioxole-5-carbonyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]azetidine-3-carboxamide?
The InChIKey is SERUVYWPFSPIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5S/c23-17(21-19-20-13(9-28-19)14-2-1-5-25-14)12-7-22(8-12)18(24)11-3-4-15-16(6-11)27-10-26-15/h1-6,9,12H,7-8,10H2,(H,20,21,23).
What are the key properties of 1-(1,3-benzodioxole-5-carbonyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]azetidine-3-carboxamide?
1-(1,3-benzodioxole-5-carbonyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]azetidine-3-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxole-5-carbonyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]azetidine-3-carboxamide is sourced from PubChem (CID 71785385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).