N-(2-ethyl-6-methylphenyl)-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine

C21H21N3S2 — CID 15988948

IUPACN-(2-ethyl-6-methylphenyl)-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
SMILESCCc1cccc(C)c1Nc1c(-c2ccc(SC)cc2)nc2sccn12
InChIInChI=1S/C21H21N3S2/c1-4-15-7-5-6-14(2)18(15)22-20-19(23-21-24(20)12-13-26-21)16-8-10-17(25-3)11-9-16/h5-13,22H,4H2,1-3H3
InChIKeyXQQFKRMBVYEUCE-UHFFFAOYSA-N
MW379.55 g/mol
LogP6.40
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine

N-(2-ethyl-6-methylphenyl)-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 15988948) has the molecular formula C21H21N3S2 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID15988948
Molecular FormulaC21H21N3S2
Molecular Weight379.55 g/mol
Exact Mass379.12
IUPAC NameN-(2-ethyl-6-methylphenyl)-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
SMILESCCc1cccc(C)c1Nc1c(-c2ccc(SC)cc2)nc2sccn12
InChIInChI=1S/C21H21N3S2/c1-4-15-7-5-6-14(2)18(15)22-20-19(23-21-24(20)12-13-26-21)16-8-10-17(25-3)11-9-16/h5-13,22H,4H2,1-3H3
InChIKeyXQQFKRMBVYEUCE-UHFFFAOYSA-N
XLogP6.40
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine (CID 15988948) is N-(2-ethyl-6-methylphenyl)-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine is CCc1cccc(C)c1Nc1c(-c2ccc(SC)cc2)nc2sccn12.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is XQQFKRMBVYEUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3S2/c1-4-15-7-5-6-14(2)18(15)22-20-19(23-21-24(20)12-13-26-21)16-8-10-17(25-3)11-9-16/h5-13,22H,4H2,1-3H3.
What are the key properties of N-(2-ethyl-6-methylphenyl)-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
N-(2-ethyl-6-methylphenyl)-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 379.55 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 15988948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).