N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C18H22N4OS2 — CID 2997762

IUPACN-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCC(C)(C)C1CCc2nc(NC(=O)Cc3cn4ccsc4n3)sc2C1
InChIInChI=1S/C18H22N4OS2/c1-18(2,3)11-4-5-13-14(8-11)25-16(20-13)21-15(23)9-12-10-22-6-7-24-17(22)19-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21,23)
InChIKeyKFBVOBSSVMIIJU-UHFFFAOYSA-N
MW374.54 g/mol
LogP4.18
Rot. Bonds3

About N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 2997762) has the molecular formula C18H22N4OS2 and a molecular weight of 374.54 g/mol. Its IUPAC name is N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID2997762
Molecular FormulaC18H22N4OS2
Molecular Weight374.54 g/mol
Exact Mass374.12
IUPAC NameN-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCC(C)(C)C1CCc2nc(NC(=O)Cc3cn4ccsc4n3)sc2C1
InChIInChI=1S/C18H22N4OS2/c1-18(2,3)11-4-5-13-14(8-11)25-16(20-13)21-15(23)9-12-10-22-6-7-24-17(22)19-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21,23)
InChIKeyKFBVOBSSVMIIJU-UHFFFAOYSA-N
XLogP4.18
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.54
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 2997762) is N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is CC(C)(C)C1CCc2nc(NC(=O)Cc3cn4ccsc4n3)sc2C1.
What is the InChIKey of N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is KFBVOBSSVMIIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS2/c1-18(2,3)11-4-5-13-14(8-11)25-16(20-13)21-15(23)9-12-10-22-6-7-24-17(22)19-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21,23).
What are the key properties of N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 374.54 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 2997762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).