N-[2-(2-chlorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C15H14ClN3OS — CID 44530229

IUPACN-[2-(2-chlorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NCCc1ccccc1Cl
InChIInChI=1S/C15H14ClN3OS/c1-10-13(19-8-9-21-15(19)18-10)14(20)17-7-6-11-4-2-3-5-12(11)16/h2-5,8-9H,6-7H2,1H3,(H,17,20)
InChIKeyRRAJNVPFINUTLX-UHFFFAOYSA-N
MW319.82 g/mol
LogP3.33
Rot. Bonds4

About N-[2-(2-chlorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[2-(2-chlorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 44530229) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID44530229
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NCCc1ccccc1Cl
InChIInChI=1S/C15H14ClN3OS/c1-10-13(19-8-9-21-15(19)18-10)14(20)17-7-6-11-4-2-3-5-12(11)16/h2-5,8-9H,6-7H2,1H3,(H,17,20)
InChIKeyRRAJNVPFINUTLX-UHFFFAOYSA-N
XLogP3.33
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 44530229) is N-[2-(2-chlorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)NCCc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is RRAJNVPFINUTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-10-13(19-8-9-21-15(19)18-10)14(20)17-7-6-11-4-2-3-5-12(11)16/h2-5,8-9H,6-7H2,1H3,(H,17,20).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[2-(2-chlorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 319.82 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 44530229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).