N-[4-(spiro[1,3-benzodioxole-2,3'-pyrrolidine]-1'-carbonyl)-1,3-thiazol-2-yl]acetamide

C16H15N3O4S — CID 136543085

IUPACN-[4-(spiro[1,3-benzodioxole-2,3'-pyrrolidine]-1'-carbonyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CCC3(C2)Oc2ccccc2O3)cs1
InChIInChI=1S/C16H15N3O4S/c1-10(20)17-15-18-11(8-24-15)14(21)19-7-6-16(9-19)22-12-4-2-3-5-13(12)23-16/h2-5,8H,6-7,9H2,1H3,(H,17,18,20)
InChIKeyRVESMWXYNUILDF-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.12
Rot. Bonds2

About N-[4-(spiro[1,3-benzodioxole-2,3'-pyrrolidine]-1'-carbonyl)-1,3-thiazol-2-yl]acetamide

N-[4-(spiro[1,3-benzodioxole-2,3'-pyrrolidine]-1'-carbonyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 136543085) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[4-(spiro[1,3-benzodioxole-2,3'-pyrrolidine]-1'-carbonyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(spiro[1,3-benzodioxole-2,3'-pyrrolidine]-1'-carbonyl)-1,3-thiazol-2-yl]acetamide
PubChem CID136543085
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-[4-(spiro[1,3-benzodioxole-2,3'-pyrrolidine]-1'-carbonyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CCC3(C2)Oc2ccccc2O3)cs1
InChIInChI=1S/C16H15N3O4S/c1-10(20)17-15-18-11(8-24-15)14(21)19-7-6-16(9-19)22-12-4-2-3-5-13(12)23-16/h2-5,8H,6-7,9H2,1H3,(H,17,18,20)
InChIKeyRVESMWXYNUILDF-UHFFFAOYSA-N
XLogP2.12
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 115874539
N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 46114229
N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 106671767
N-[4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 136538437
N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 16915195
N-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 39043901
methyl 1-(2-acetamido-1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 47340287
N-[4-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 136542163
N-[4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 94023301
[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methanone
CID 136546604
2-fluoro-N-[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46114250
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 110694234

Frequently Asked Questions

What is the IUPAC name of N-[4-(spiro[1,3-benzodioxole-2,3'-pyrrolidine]-1'-carbonyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(spiro[1,3-benzodioxole-2,3'-pyrrolidine]-1'-carbonyl)-1,3-thiazol-2-yl]acetamide (CID 136543085) is N-[4-(spiro[1,3-benzodioxole-2,3'-pyrrolidine]-1'-carbonyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(spiro[1,3-benzodioxole-2,3'-pyrrolidine]-1'-carbonyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(spiro[1,3-benzodioxole-2,3'-pyrrolidine]-1'-carbonyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(=O)N2CCC3(C2)Oc2ccccc2O3)cs1.
What is the InChIKey of N-[4-(spiro[1,3-benzodioxole-2,3'-pyrrolidine]-1'-carbonyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RVESMWXYNUILDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-10(20)17-15-18-11(8-24-15)14(21)19-7-6-16(9-19)22-12-4-2-3-5-13(12)23-16/h2-5,8H,6-7,9H2,1H3,(H,17,18,20).
What are the key properties of N-[4-(spiro[1,3-benzodioxole-2,3'-pyrrolidine]-1'-carbonyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(spiro[1,3-benzodioxole-2,3'-pyrrolidine]-1'-carbonyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 345.38 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(spiro[1,3-benzodioxole-2,3'-pyrrolidine]-1'-carbonyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 136543085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).