N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide

C14H13N3O2S — CID 5310332

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cn3ccsc3n2)c1
InChIInChI=1S/C14H13N3O2S/c1-19-12-4-2-3-10(7-12)13(18)15-8-11-9-17-5-6-20-14(17)16-11/h2-7,9H,8H2,1H3,(H,15,18)
InChIKeyHVUPBTMHHDZIGF-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.33
Rot. Bonds4

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide (PubChem CID 5310332) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide
PubChem CID5310332
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2cn3ccsc3n2)c1
InChIInChI=1S/C14H13N3O2S/c1-19-12-4-2-3-10(7-12)13(18)15-8-11-9-17-5-6-20-14(17)16-11/h2-7,9H,8H2,1H3,(H,15,18)
InChIKeyHVUPBTMHHDZIGF-UHFFFAOYSA-N
XLogP2.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide (CID 5310332) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide is COc1cccc(C(=O)NCc2cn3ccsc3n2)c1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide?
The InChIKey is HVUPBTMHHDZIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-19-12-4-2-3-10(7-12)13(18)15-8-11-9-17-5-6-20-14(17)16-11/h2-7,9H,8H2,1H3,(H,15,18).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide has a molecular weight of 287.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide is sourced from PubChem (CID 5310332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).