N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide

C23H26N4O2S2 — CID 22971048

IUPACN-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
SMILESCC(C)(C)Cc1cnc(CSc2cnc(NC(=O)CCc3c[nH]c4ccccc34)s2)o1
InChIInChI=1S/C23H26N4O2S2/c1-23(2,3)10-16-12-25-20(29-16)14-30-21-13-26-22(31-21)27-19(28)9-8-15-11-24-18-7-5-4-6-17(15)18/h4-7,11-13,24H,8-10,14H2,1-3H3,(H,26,27,28)
InChIKeyAEDJAXBQYNTNLZ-UHFFFAOYSA-N
MW454.62 g/mol
LogP6.06
Rot. Bonds8

About N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide

N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 22971048) has the molecular formula C23H26N4O2S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID22971048
Molecular FormulaC23H26N4O2S2
Molecular Weight454.62 g/mol
Exact Mass454.15
IUPAC NameN-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
SMILESCC(C)(C)Cc1cnc(CSc2cnc(NC(=O)CCc3c[nH]c4ccccc34)s2)o1
InChIInChI=1S/C23H26N4O2S2/c1-23(2,3)10-16-12-25-20(29-16)14-30-21-13-26-22(31-21)27-19(28)9-8-15-11-24-18-7-5-4-6-17(15)18/h4-7,11-13,24H,8-10,14H2,1-3H3,(H,26,27,28)
InChIKeyAEDJAXBQYNTNLZ-UHFFFAOYSA-N
XLogP6.06
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide 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 N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide (CID 22971048) is N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide is CC(C)(C)Cc1cnc(CSc2cnc(NC(=O)CCc3c[nH]c4ccccc34)s2)o1.
What is the InChIKey of N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is AEDJAXBQYNTNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S2/c1-23(2,3)10-16-12-25-20(29-16)14-30-21-13-26-22(31-21)27-19(28)9-8-15-11-24-18-7-5-4-6-17(15)18/h4-7,11-13,24H,8-10,14H2,1-3H3,(H,26,27,28).
What are the key properties of N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 454.62 g/mol, XLogP of 6.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 22971048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).