N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide

C19H15N3O3S — CID 7151304

IUPACN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H15N3O3S/c23-18(13-3-6-16-17(9-13)25-11-24-16)20-14-4-1-12(2-5-14)15-10-22-7-8-26-19(22)21-15/h1-6,9-10H,7-8,11H2,(H,20,23)
InChIKeyAOGXBRAWKJHJEZ-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.64
Rot. Bonds3

About N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide

N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 7151304) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID7151304
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC NameN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H15N3O3S/c23-18(13-3-6-16-17(9-13)25-11-24-16)20-14-4-1-12(2-5-14)15-10-22-7-8-26-19(22)21-15/h1-6,9-10H,7-8,11H2,(H,20,23)
InChIKeyAOGXBRAWKJHJEZ-UHFFFAOYSA-N
XLogP3.64
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide (CID 7151304) is N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is AOGXBRAWKJHJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c23-18(13-3-6-16-17(9-13)25-11-24-16)20-14-4-1-12(2-5-14)15-10-22-7-8-26-19(22)21-15/h1-6,9-10H,7-8,11H2,(H,20,23).
What are the key properties of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 7151304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).