N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide

C21H20N4O3S — CID 10938428

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide
SMILESCc1csc(NC(=O)C(=O)c2cn(Cc3cc(C(C)C)no3)c3ccccc23)n1
InChIInChI=1S/C21H20N4O3S/c1-12(2)17-8-14(28-24-17)9-25-10-16(15-6-4-5-7-18(15)25)19(26)20(27)23-21-22-13(3)11-29-21/h4-8,10-12H,9H2,1-3H3,(H,22,23,27)
InChIKeyXYJZWLSUPCLJCG-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.39
Rot. Bonds6

About N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide (PubChem CID 10938428) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide
PubChem CID10938428
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide
SMILESCc1csc(NC(=O)C(=O)c2cn(Cc3cc(C(C)C)no3)c3ccccc23)n1
InChIInChI=1S/C21H20N4O3S/c1-12(2)17-8-14(28-24-17)9-25-10-16(15-6-4-5-7-18(15)25)19(26)20(27)23-21-22-13(3)11-29-21/h4-8,10-12H,9H2,1-3H3,(H,22,23,27)
InChIKeyXYJZWLSUPCLJCG-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide (CID 10938428) is N-(4-methyl-1,3-thiazol-2-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-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide is Cc1csc(NC(=O)C(=O)c2cn(Cc3cc(C(C)C)no3)c3ccccc23)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide?
The InChIKey is XYJZWLSUPCLJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-12(2)17-8-14(28-24-17)9-25-10-16(15-6-4-5-7-18(15)25)19(26)20(27)23-21-22-13(3)11-29-21/h4-8,10-12H,9H2,1-3H3,(H,22,23,27).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide?
N-(4-methyl-1,3-thiazol-2-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-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]indol-3-yl]acetamide is sourced from PubChem (CID 10938428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).