N-[4-(5-amino-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C19H16N6OS2 — CID 166058000

IUPACN-[4-(5-amino-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCc1[nH]c2ccc(N)cc2c1-c1csc(NC(=O)Cc2cn3ccsc3n2)n1
InChIInChI=1S/C19H16N6OS2/c1-10-17(13-6-11(20)2-3-14(13)21-10)15-9-28-18(23-15)24-16(26)7-12-8-25-4-5-27-19(25)22-12/h2-6,8-9,21H,7,20H2,1H3,(H,23,24,26)
InChIKeyRZFFLWVRNXPJQM-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.07
Rot. Bonds4

About N-[4-(5-amino-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[4-(5-amino-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 166058000) has the molecular formula C19H16N6OS2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[4-(5-amino-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[4-(5-amino-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID166058000
Molecular FormulaC19H16N6OS2
Molecular Weight408.51 g/mol
Exact Mass408.08
IUPAC NameN-[4-(5-amino-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCc1[nH]c2ccc(N)cc2c1-c1csc(NC(=O)Cc2cn3ccsc3n2)n1
InChIInChI=1S/C19H16N6OS2/c1-10-17(13-6-11(20)2-3-14(13)21-10)15-9-28-18(23-15)24-16(26)7-12-8-25-4-5-27-19(25)22-12/h2-6,8-9,21H,7,20H2,1H3,(H,23,24,26)
InChIKeyRZFFLWVRNXPJQM-UHFFFAOYSA-N
XLogP4.07
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-amino-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[4-(5-amino-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 166058000) is N-[4-(5-amino-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[4-(5-amino-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[4-(5-amino-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is Cc1[nH]c2ccc(N)cc2c1-c1csc(NC(=O)Cc2cn3ccsc3n2)n1.
What is the InChIKey of N-[4-(5-amino-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is RZFFLWVRNXPJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS2/c1-10-17(13-6-11(20)2-3-14(13)21-10)15-9-28-18(23-15)24-16(26)7-12-8-25-4-5-27-19(25)22-12/h2-6,8-9,21H,7,20H2,1H3,(H,23,24,26).
What are the key properties of N-[4-(5-amino-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[4-(5-amino-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 408.51 g/mol, XLogP of 4.07, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-amino-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 166058000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).