N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide

C21H20N4O3S — CID 10873244

IUPACN-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide
SMILESCc1cc(NC(=O)C(=O)c2cn(Cc3cc(C(C)C)no3)c3ccccc23)sn1
InChIInChI=1S/C21H20N4O3S/c1-12(2)17-9-14(28-23-17)10-25-11-16(15-6-4-5-7-18(15)25)20(26)21(27)22-19-8-13(3)24-29-19/h4-9,11-12H,10H2,1-3H3,(H,22,27)
InChIKeyXQHTVWRCBADBIT-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.39
Rot. Bonds6

About N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide

N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide (PubChem CID 10873244) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide
PubChem CID10873244
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC NameN-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide
SMILESCc1cc(NC(=O)C(=O)c2cn(Cc3cc(C(C)C)no3)c3ccccc23)sn1
InChIInChI=1S/C21H20N4O3S/c1-12(2)17-9-14(28-23-17)10-25-11-16(15-6-4-5-7-18(15)25)20(26)21(27)22-19-8-13(3)24-29-19/h4-9,11-12H,10H2,1-3H3,(H,22,27)
InChIKeyXQHTVWRCBADBIT-UHFFFAOYSA-N
XLogP4.39
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide 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-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide?
The IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide (CID 10873244) is N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide.
What is the SMILES notation for N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide?
The canonical SMILES for N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide is Cc1cc(NC(=O)C(=O)c2cn(Cc3cc(C(C)C)no3)c3ccccc23)sn1.
What is the InChIKey of N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide?
The InChIKey is XQHTVWRCBADBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-12(2)17-9-14(28-23-17)10-25-11-16(15-6-4-5-7-18(15)25)20(26)21(27)22-19-8-13(3)24-29-19/h4-9,11-12H,10H2,1-3H3,(H,22,27).
What are the key properties of N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide?
N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-thiazol-5-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide is sourced from PubChem (CID 10873244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).