3,3-dimethyl-6-(1,3-thiazol-4-yl)-1,7-dihydropyrrolo[3,2-f]indol-2-one

C15H13N3OS — CID 70381621

IUPAC3,3-dimethyl-6-(1,3-thiazol-4-yl)-1,7-dihydropyrrolo[3,2-f]indol-2-one
SMILESCC1(C)C(=O)Nc2cc3[nH]c(-c4cscn4)cc3cc21
InChIInChI=1S/C15H13N3OS/c1-15(2)9-3-8-4-12(13-6-20-7-16-13)17-10(8)5-11(9)18-14(15)19/h3-7,17H,1-2H3,(H,18,19)
InChIKeyXAYCCQYAMZXNTF-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.52
Rot. Bonds1

About 3,3-dimethyl-6-(1,3-thiazol-4-yl)-1,7-dihydropyrrolo[3,2-f]indol-2-one

3,3-dimethyl-6-(1,3-thiazol-4-yl)-1,7-dihydropyrrolo[3,2-f]indol-2-one (PubChem CID 70381621) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 3,3-dimethyl-6-(1,3-thiazol-4-yl)-1,7-dihydropyrrolo[3,2-f]indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-(1,3-thiazol-4-yl)-1,7-dihydropyrrolo[3,2-f]indol-2-one
PubChem CID70381621
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name3,3-dimethyl-6-(1,3-thiazol-4-yl)-1,7-dihydropyrrolo[3,2-f]indol-2-one
SMILESCC1(C)C(=O)Nc2cc3[nH]c(-c4cscn4)cc3cc21
InChIInChI=1S/C15H13N3OS/c1-15(2)9-3-8-4-12(13-6-20-7-16-13)17-10(8)5-11(9)18-14(15)19/h3-7,17H,1-2H3,(H,18,19)
InChIKeyXAYCCQYAMZXNTF-UHFFFAOYSA-N
XLogP3.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(1,3-thiazol-4-yl)-1,7-dihydropyrrolo[3,2-f]indol-2-one?
The IUPAC name of 3,3-dimethyl-6-(1,3-thiazol-4-yl)-1,7-dihydropyrrolo[3,2-f]indol-2-one (CID 70381621) is 3,3-dimethyl-6-(1,3-thiazol-4-yl)-1,7-dihydropyrrolo[3,2-f]indol-2-one.
What is the SMILES notation for 3,3-dimethyl-6-(1,3-thiazol-4-yl)-1,7-dihydropyrrolo[3,2-f]indol-2-one?
The canonical SMILES for 3,3-dimethyl-6-(1,3-thiazol-4-yl)-1,7-dihydropyrrolo[3,2-f]indol-2-one is CC1(C)C(=O)Nc2cc3[nH]c(-c4cscn4)cc3cc21.
What is the InChIKey of 3,3-dimethyl-6-(1,3-thiazol-4-yl)-1,7-dihydropyrrolo[3,2-f]indol-2-one?
The InChIKey is XAYCCQYAMZXNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-15(2)9-3-8-4-12(13-6-20-7-16-13)17-10(8)5-11(9)18-14(15)19/h3-7,17H,1-2H3,(H,18,19).
What are the key properties of 3,3-dimethyl-6-(1,3-thiazol-4-yl)-1,7-dihydropyrrolo[3,2-f]indol-2-one?
3,3-dimethyl-6-(1,3-thiazol-4-yl)-1,7-dihydropyrrolo[3,2-f]indol-2-one has a molecular weight of 283.36 g/mol, XLogP of 3.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(1,3-thiazol-4-yl)-1,7-dihydropyrrolo[3,2-f]indol-2-one is sourced from PubChem (CID 70381621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).