N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-2-carboxamide

C21H16N4OS — CID 7151300

IUPACN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C21H16N4OS/c26-20(18-10-7-14-3-1-2-4-17(14)23-18)22-16-8-5-15(6-9-16)19-13-25-11-12-27-21(25)24-19/h1-10,13H,11-12H2,(H,22,26)
InChIKeyCGQDCEVGXBBXCO-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.46
Rot. Bonds3

About N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-2-carboxamide

N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-2-carboxamide (PubChem CID 7151300) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-2-carboxamide
PubChem CID7151300
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC NameN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C21H16N4OS/c26-20(18-10-7-14-3-1-2-4-17(14)23-18)22-16-8-5-15(6-9-16)19-13-25-11-12-27-21(25)24-19/h1-10,13H,11-12H2,(H,22,26)
InChIKeyCGQDCEVGXBBXCO-UHFFFAOYSA-N
XLogP4.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-2-carboxamide (CID 7151300) is N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-2-carboxamide is O=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc2ccccc2n1.
What is the InChIKey of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-2-carboxamide?
The InChIKey is CGQDCEVGXBBXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4OS/c26-20(18-10-7-14-3-1-2-4-17(14)23-18)22-16-8-5-15(6-9-16)19-13-25-11-12-27-21(25)24-19/h1-10,13H,11-12H2,(H,22,26).
What are the key properties of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-2-carboxamide?
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-2-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 7151300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).