N-(4-tert-butyl-1,3-thiazol-2-yl)-2-indol-1-ylacetamide

C17H19N3OS — CID 142538909

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-indol-1-ylacetamide
SMILESCC(C)(C)c1csc(NC(=O)Cn2ccc3ccccc32)n1
InChIInChI=1S/C17H19N3OS/c1-17(2,3)14-11-22-16(18-14)19-15(21)10-20-9-8-12-6-4-5-7-13(12)20/h4-9,11H,10H2,1-3H3,(H,18,19,21)
InChIKeyAXPXTLUCMKCUGU-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.03
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-indol-1-ylacetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-indol-1-ylacetamide (PubChem CID 142538909) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-indol-1-ylacetamide
PubChem CID142538909
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-indol-1-ylacetamide
SMILESCC(C)(C)c1csc(NC(=O)Cn2ccc3ccccc32)n1
InChIInChI=1S/C17H19N3OS/c1-17(2,3)14-11-22-16(18-14)19-15(21)10-20-9-8-12-6-4-5-7-13(12)20/h4-9,11H,10H2,1-3H3,(H,18,19,21)
InChIKeyAXPXTLUCMKCUGU-UHFFFAOYSA-N
XLogP4.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-indol-1-ylacetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-indol-1-ylacetamide (CID 142538909) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-indol-1-ylacetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-indol-1-ylacetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-indol-1-ylacetamide is CC(C)(C)c1csc(NC(=O)Cn2ccc3ccccc32)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-indol-1-ylacetamide?
The InChIKey is AXPXTLUCMKCUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-17(2,3)14-11-22-16(18-14)19-15(21)10-20-9-8-12-6-4-5-7-13(12)20/h4-9,11H,10H2,1-3H3,(H,18,19,21).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-indol-1-ylacetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-indol-1-ylacetamide has a molecular weight of 313.43 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-indol-1-ylacetamide is sourced from PubChem (CID 142538909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).