2-[(5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl)amino]-1,3-thiazole-4-carboxamide

C16H15N5O3S — CID 123298132

IUPAC2-[(5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl)amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(NC(=O)C2CC3(CNc4ccccc43)C(=O)N2)n1
InChIInChI=1S/C16H15N5O3S/c17-12(22)11-6-25-15(20-11)21-13(23)10-5-16(14(24)19-10)7-18-9-4-2-1-3-8(9)16/h1-4,6,10,18H,5,7H2,(H2,17,22)(H,19,24)(H,20,21,23)
InChIKeyRCAWMKNWBOOXBS-UHFFFAOYSA-N
MW357.40 g/mol
LogP0.43
Rot. Bonds3

About 2-[(5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl)amino]-1,3-thiazole-4-carboxamide

2-[(5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 123298132) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-[(5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID123298132
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC Name2-[(5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl)amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(NC(=O)C2CC3(CNc4ccccc43)C(=O)N2)n1
InChIInChI=1S/C16H15N5O3S/c17-12(22)11-6-25-15(20-11)21-13(23)10-5-16(14(24)19-10)7-18-9-4-2-1-3-8(9)16/h1-4,6,10,18H,5,7H2,(H2,17,22)(H,19,24)(H,20,21,23)
InChIKeyRCAWMKNWBOOXBS-UHFFFAOYSA-N
XLogP0.43
TPSA126.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[(5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl)amino]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonylamino)-1,3-thiazole-4-carboxamide
CID 123360178
N-[4-(dimethylcarbamoyl)phenyl]-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
CID 123762700
2-(pyridine-2-carbonylamino)-1,3-thiazole-4-carboxamide
CID 110471210
2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 16915429
2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxamide
CID 16915451
2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634432
N-(5-carbamoylthiophen-2-yl)spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
CID 123757035
N-(4-acetyl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 53498086
2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxamide
CID 96501826
(2S)-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 167814774
2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16949036
(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 64557137

Frequently Asked Questions

What is the IUPAC name of 2-[(5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl)amino]-1,3-thiazole-4-carboxamide (CID 123298132) is 2-[(5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl)amino]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(NC(=O)C2CC3(CNc4ccccc43)C(=O)N2)n1.
What is the InChIKey of 2-[(5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is RCAWMKNWBOOXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c17-12(22)11-6-25-15(20-11)21-13(23)10-5-16(14(24)19-10)7-18-9-4-2-1-3-8(9)16/h1-4,6,10,18H,5,7H2,(H2,17,22)(H,19,24)(H,20,21,23).
What are the key properties of 2-[(5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl)amino]-1,3-thiazole-4-carboxamide?
2-[(5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 357.40 g/mol, XLogP of 0.43, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123298132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).