[5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-cyclopropylmethanone

C19H23N3OS — CID 6487686

IUPAC[5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-cyclopropylmethanone
SMILESCC(C)(C)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1
InChIInChI=1S/C19H23N3OS/c1-19(2,3)21-18-20-15(11-24-18)13-6-7-16-14(10-13)8-9-22(16)17(23)12-4-5-12/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,20,21)
InChIKeyRXAFTTUHZHNWOP-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.32
Rot. Bonds3

About [5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-cyclopropylmethanone

[5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-cyclopropylmethanone (PubChem CID 6487686) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is [5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-cyclopropylmethanone
PubChem CID6487686
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name[5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-cyclopropylmethanone
SMILESCC(C)(C)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1
InChIInChI=1S/C19H23N3OS/c1-19(2,3)21-18-20-15(11-24-18)13-6-7-16-14(10-13)8-9-22(16)17(23)12-4-5-12/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,20,21)
InChIKeyRXAFTTUHZHNWOP-UHFFFAOYSA-N
XLogP4.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-cyclopropylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-cyclopropylmethanone?
The IUPAC name of [5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-cyclopropylmethanone (CID 6487686) is [5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-cyclopropylmethanone?
The canonical SMILES for [5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-cyclopropylmethanone is CC(C)(C)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1.
What is the InChIKey of [5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-cyclopropylmethanone?
The InChIKey is RXAFTTUHZHNWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-19(2,3)21-18-20-15(11-24-18)13-6-7-16-14(10-13)8-9-22(16)17(23)12-4-5-12/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,20,21).
What are the key properties of [5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-cyclopropylmethanone?
[5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-cyclopropylmethanone has a molecular weight of 341.48 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(tert-butylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 6487686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).