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

C18H14ClN3OS — CID 40506421

IUPAC2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccccc1Cl
InChIInChI=1S/C18H14ClN3OS/c19-15-4-2-1-3-14(15)17(23)20-13-7-5-12(6-8-13)16-11-22-9-10-24-18(22)21-16/h1-8,11H,9-10H2,(H,20,23)
InChIKeyNKWOWYNBKRHBSL-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.56
Rot. Bonds3

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

2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide (PubChem CID 40506421) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is 2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
PubChem CID40506421
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC Name2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccccc1Cl
InChIInChI=1S/C18H14ClN3OS/c19-15-4-2-1-3-14(15)17(23)20-13-7-5-12(6-8-13)16-11-22-9-10-24-18(22)21-16/h1-8,11H,9-10H2,(H,20,23)
InChIKeyNKWOWYNBKRHBSL-UHFFFAOYSA-N
XLogP4.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide (CID 40506421) is 2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide is O=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The InChIKey is NKWOWYNBKRHBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c19-15-4-2-1-3-14(15)17(23)20-13-7-5-12(6-8-13)16-11-22-9-10-24-18(22)21-16/h1-8,11H,9-10H2,(H,20,23).
What are the key properties of 2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide has a molecular weight of 355.85 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide is sourced from PubChem (CID 40506421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).