N-(1,3-benzothiazol-2-ylmethyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide

C17H14N4OS — CID 31846506

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
SMILESO=C(Cc1cn2ccccc2n1)NCc1nc2ccccc2s1
InChIInChI=1S/C17H14N4OS/c22-16(9-12-11-21-8-4-3-7-15(21)19-12)18-10-17-20-13-5-1-2-6-14(13)23-17/h1-8,11H,9-10H2,(H,18,22)
InChIKeyFEIPEZBKWOUXHD-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.80
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide

N-(1,3-benzothiazol-2-ylmethyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide (PubChem CID 31846506) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
PubChem CID31846506
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
SMILESO=C(Cc1cn2ccccc2n1)NCc1nc2ccccc2s1
InChIInChI=1S/C17H14N4OS/c22-16(9-12-11-21-8-4-3-7-15(21)19-12)18-10-17-20-13-5-1-2-6-14(13)23-17/h1-8,11H,9-10H2,(H,18,22)
InChIKeyFEIPEZBKWOUXHD-UHFFFAOYSA-N
XLogP2.80
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide (CID 31846506) is N-(1,3-benzothiazol-2-ylmethyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide is O=C(Cc1cn2ccccc2n1)NCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide?
The InChIKey is FEIPEZBKWOUXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c22-16(9-12-11-21-8-4-3-7-15(21)19-12)18-10-17-20-13-5-1-2-6-14(13)23-17/h1-8,11H,9-10H2,(H,18,22).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide has a molecular weight of 322.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2-imidazo[1,2-a]pyridin-2-ylacetamide is sourced from PubChem (CID 31846506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).