N-[4-(2-carbamoylphenoxy)phenyl]-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C20H16N4O3S — CID 166155502

IUPACN-[4-(2-carbamoylphenoxy)phenyl]-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1cn2cc(C(=O)Nc3ccc(Oc4ccccc4C(N)=O)cc3)sc2n1
InChIInChI=1S/C20H16N4O3S/c1-12-10-24-11-17(28-20(24)22-12)19(26)23-13-6-8-14(9-7-13)27-16-5-3-2-4-15(16)18(21)25/h2-11H,1H3,(H2,21,25)(H,23,26)
InChIKeyDIIKYKPTASGEQB-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.85
Rot. Bonds5

About N-[4-(2-carbamoylphenoxy)phenyl]-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

N-[4-(2-carbamoylphenoxy)phenyl]-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 166155502) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[4-(2-carbamoylphenoxy)phenyl]-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-carbamoylphenoxy)phenyl]-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID166155502
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC NameN-[4-(2-carbamoylphenoxy)phenyl]-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1cn2cc(C(=O)Nc3ccc(Oc4ccccc4C(N)=O)cc3)sc2n1
InChIInChI=1S/C20H16N4O3S/c1-12-10-24-11-17(28-20(24)22-12)19(26)23-13-6-8-14(9-7-13)27-16-5-3-2-4-15(16)18(21)25/h2-11H,1H3,(H2,21,25)(H,23,26)
InChIKeyDIIKYKPTASGEQB-UHFFFAOYSA-N
XLogP3.85
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbamoylphenoxy)phenyl]-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-[4-(2-carbamoylphenoxy)phenyl]-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 166155502) is N-[4-(2-carbamoylphenoxy)phenyl]-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-[4-(2-carbamoylphenoxy)phenyl]-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-[4-(2-carbamoylphenoxy)phenyl]-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1cn2cc(C(=O)Nc3ccc(Oc4ccccc4C(N)=O)cc3)sc2n1.
What is the InChIKey of N-[4-(2-carbamoylphenoxy)phenyl]-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is DIIKYKPTASGEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-12-10-24-11-17(28-20(24)22-12)19(26)23-13-6-8-14(9-7-13)27-16-5-3-2-4-15(16)18(21)25/h2-11H,1H3,(H2,21,25)(H,23,26).
What are the key properties of N-[4-(2-carbamoylphenoxy)phenyl]-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-[4-(2-carbamoylphenoxy)phenyl]-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbamoylphenoxy)phenyl]-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 166155502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).