N-(3-chloro-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C14H12ClN3OS — CID 40723723

IUPACN-(3-chloro-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCc1c(Cl)cccc1NC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C14H12ClN3OS/c1-9-11(15)3-2-4-12(9)17-13(19)7-10-8-18-5-6-20-14(18)16-10/h2-6,8H,7H2,1H3,(H,17,19)
InChIKeyJDBONQDENNJIEG-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.54
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-(3-chloro-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 40723723) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID40723723
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC NameN-(3-chloro-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCc1c(Cl)cccc1NC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C14H12ClN3OS/c1-9-11(15)3-2-4-12(9)17-13(19)7-10-8-18-5-6-20-14(18)16-10/h2-6,8H,7H2,1H3,(H,17,19)
InChIKeyJDBONQDENNJIEG-UHFFFAOYSA-N
XLogP3.54
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 40723723) is N-(3-chloro-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is Cc1c(Cl)cccc1NC(=O)Cc1cn2ccsc2n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is JDBONQDENNJIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-9-11(15)3-2-4-12(9)17-13(19)7-10-8-18-5-6-20-14(18)16-10/h2-6,8H,7H2,1H3,(H,17,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-(3-chloro-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 305.79 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 40723723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).