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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Related Compounds

(3E)-5-methoxy-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 56963903
5-methoxy-3-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 70684410
N-(3-(imidazo[2,1-b]thiazol-6-yl)phenyl)-2-methoxybenzamide
CID 752438
3-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 5121654
N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3-(trifluoromethoxy)benzamide
CID 25232166
3-methoxy-4-(4-methylimidazol-1-yl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]benzamide
CID 46899011
(5S)-5-imidazo[2,1-b][1,3]thiazol-6-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 58053321
3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide
CID 3238659
N-isopropyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3241505
6-(4-methoxyphenyl)-N,3-dimethyl-2-imidazo[2,1-b]thiazolecarboxamide
CID 5158448
5-chloro-2-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide
CID 5310155
N-(3-(imidazo[2,1-b]thiazol-6-yl)phenyl)-3,5-dimethoxybenzamide
CID 7151228

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).