2-(spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonylamino)-1,3-thiazole-4-carboxamide

C16H17N5O2S — CID 123360178

IUPAC2-(spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonylamino)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(NC(=O)C2CC3(CNc4ccccc43)CN2)n1
InChIInChI=1S/C16H17N5O2S/c17-13(22)12-6-24-15(20-12)21-14(23)11-5-16(8-19-11)7-18-10-4-2-1-3-9(10)16/h1-4,6,11,18-19H,5,7-8H2,(H2,17,22)(H,20,21,23)
InChIKeyZCZYZCKKIUNXJG-UHFFFAOYSA-N
MW343.41 g/mol
LogP0.91
Rot. Bonds3

About 2-(spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonylamino)-1,3-thiazole-4-carboxamide

2-(spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonylamino)-1,3-thiazole-4-carboxamide (PubChem CID 123360178) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonylamino)-1,3-thiazole-4-carboxamide
PubChem CID123360178
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-(spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonylamino)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(NC(=O)C2CC3(CNc4ccccc43)CN2)n1
InChIInChI=1S/C16H17N5O2S/c17-13(22)12-6-24-15(20-12)21-14(23)11-5-16(8-19-11)7-18-10-4-2-1-3-9(10)16/h1-4,6,11,18-19H,5,7-8H2,(H2,17,22)(H,20,21,23)
InChIKeyZCZYZCKKIUNXJG-UHFFFAOYSA-N
XLogP0.91
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonylamino)-1,3-thiazole-4-carboxamide (CID 123360178) is 2-(spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonylamino)-1,3-thiazole-4-carboxamide is NC(=O)c1csc(NC(=O)C2CC3(CNc4ccccc43)CN2)n1.
What is the InChIKey of 2-(spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is ZCZYZCKKIUNXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c17-13(22)12-6-24-15(20-12)21-14(23)11-5-16(8-19-11)7-18-10-4-2-1-3-9(10)16/h1-4,6,11,18-19H,5,7-8H2,(H2,17,22)(H,20,21,23).
What are the key properties of 2-(spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonylamino)-1,3-thiazole-4-carboxamide?
2-(spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 0.91, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123360178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).