1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-thiophen-3-ylethanone

C20H18N2OS2 — CID 53179857

IUPAC1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCc2cc(-c3csc(C4CC4)n3)ccc21
InChIInChI=1S/C20H18N2OS2/c23-19(9-13-6-8-24-11-13)22-7-5-16-10-15(3-4-18(16)22)17-12-25-20(21-17)14-1-2-14/h3-4,6,8,10-12,14H,1-2,5,7,9H2
InChIKeyMAODIWHKVNPGFP-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.88
Rot. Bonds4

About 1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-thiophen-3-ylethanone

1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-thiophen-3-ylethanone (PubChem CID 53179857) has the molecular formula C20H18N2OS2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-thiophen-3-ylethanone
PubChem CID53179857
Molecular FormulaC20H18N2OS2
Molecular Weight366.51 g/mol
Exact Mass366.09
IUPAC Name1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCc2cc(-c3csc(C4CC4)n3)ccc21
InChIInChI=1S/C20H18N2OS2/c23-19(9-13-6-8-24-11-13)22-7-5-16-10-15(3-4-18(16)22)17-12-25-20(21-17)14-1-2-14/h3-4,6,8,10-12,14H,1-2,5,7,9H2
InChIKeyMAODIWHKVNPGFP-UHFFFAOYSA-N
XLogP4.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-thiophen-3-ylethanone (CID 53179857) is 1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCc2cc(-c3csc(C4CC4)n3)ccc21.
What is the InChIKey of 1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is MAODIWHKVNPGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS2/c23-19(9-13-6-8-24-11-13)22-7-5-16-10-15(3-4-18(16)22)17-12-25-20(21-17)14-1-2-14/h3-4,6,8,10-12,14H,1-2,5,7,9H2.
What are the key properties of 1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-thiophen-3-ylethanone?
1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 366.51 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-cyclopropyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 53179857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).