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

C18H14N4O2S2 — CID 11132735

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide
SMILESCc1csc(NC(=O)C(=O)c2cn(Cc3cscn3)c3ccccc23)n1
InChIInChI=1S/C18H14N4O2S2/c1-11-8-26-18(20-11)21-17(24)16(23)14-7-22(6-12-9-25-10-19-12)15-5-3-2-4-13(14)15/h2-5,7-10H,6H2,1H3,(H,20,21,24)
InChIKeyLSXNZYXDMSQEMA-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.73
Rot. Bonds5

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

N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide (PubChem CID 11132735) has the molecular formula C18H14N4O2S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide
PubChem CID11132735
Molecular FormulaC18H14N4O2S2
Molecular Weight382.47 g/mol
Exact Mass382.06
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide
SMILESCc1csc(NC(=O)C(=O)c2cn(Cc3cscn3)c3ccccc23)n1
InChIInChI=1S/C18H14N4O2S2/c1-11-8-26-18(20-11)21-17(24)16(23)14-7-22(6-12-9-25-10-19-12)15-5-3-2-4-13(14)15/h2-5,7-10H,6H2,1H3,(H,20,21,24)
InChIKeyLSXNZYXDMSQEMA-UHFFFAOYSA-N
XLogP3.73
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.73
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-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide (CID 11132735) is N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide is Cc1csc(NC(=O)C(=O)c2cn(Cc3cscn3)c3ccccc23)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide?
The InChIKey is LSXNZYXDMSQEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S2/c1-11-8-26-18(20-11)21-17(24)16(23)14-7-22(6-12-9-25-10-19-12)15-5-3-2-4-13(14)15/h2-5,7-10H,6H2,1H3,(H,20,21,24).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide has a molecular weight of 382.47 g/mol, XLogP of 3.73, 5 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-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide is sourced from PubChem (CID 11132735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).