2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

C18H18N4O3S — CID 70717778

IUPAC2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCc1ncsc1C(=O)N1CCC2(C1)C(=O)N(CC(N)=O)c1ccccc12
InChIInChI=1S/C18H18N4O3S/c1-11-15(26-10-20-11)16(24)21-7-6-18(9-21)12-4-2-3-5-13(12)22(17(18)25)8-14(19)23/h2-5,10H,6-9H2,1H3,(H2,19,23)
InChIKeyGQYMINLYJWZQCB-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.07
Rot. Bonds3

About 2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (PubChem CID 70717778) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.

Molecular Properties

Compound Name2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
PubChem CID70717778
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCc1ncsc1C(=O)N1CCC2(C1)C(=O)N(CC(N)=O)c1ccccc12
InChIInChI=1S/C18H18N4O3S/c1-11-15(26-10-20-11)16(24)21-7-6-18(9-21)12-4-2-3-5-13(12)22(17(18)25)8-14(19)23/h2-5,10H,6-9H2,1H3,(H2,19,23)
InChIKeyGQYMINLYJWZQCB-UHFFFAOYSA-N
XLogP1.07
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The IUPAC name of 2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (CID 70717778) is 2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.
What is the SMILES notation for 2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The canonical SMILES for 2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is Cc1ncsc1C(=O)N1CCC2(C1)C(=O)N(CC(N)=O)c1ccccc12.
What is the InChIKey of 2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The InChIKey is GQYMINLYJWZQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-11-15(26-10-20-11)16(24)21-7-6-18(9-21)12-4-2-3-5-13(12)22(17(18)25)8-14(19)23/h2-5,10H,6-9H2,1H3,(H2,19,23).
What are the key properties of 2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is sourced from PubChem (CID 70717778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).