4-cyano-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide

C14H10N4OS — CID 134025287

IUPAC4-cyano-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
SMILESN#Cc1ccc(C(=O)NCc2cn3ccsc3n2)cc1
InChIInChI=1S/C14H10N4OS/c15-7-10-1-3-11(4-2-10)13(19)16-8-12-9-18-5-6-20-14(18)17-12/h1-6,9H,8H2,(H,16,19)
InChIKeyQXBUFCSCDSTMOT-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.20
Rot. Bonds3

About 4-cyano-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide

4-cyano-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide (PubChem CID 134025287) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 4-cyano-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
PubChem CID134025287
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name4-cyano-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
SMILESN#Cc1ccc(C(=O)NCc2cn3ccsc3n2)cc1
InChIInChI=1S/C14H10N4OS/c15-7-10-1-3-11(4-2-10)13(19)16-8-12-9-18-5-6-20-14(18)17-12/h1-6,9H,8H2,(H,16,19)
InChIKeyQXBUFCSCDSTMOT-UHFFFAOYSA-N
XLogP2.20
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 3658662
4-acetamido-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 134027726
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
CID 3887000
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 91642422
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55561183
3-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]benzonitrile
CID 115279005
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-sulfamoylbenzamide
CID 77083416
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylsulfonylbenzamide
CID 134027697
4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346148
1-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 134027715
4-(difluoromethoxy)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybenzamide
CID 52563386
4-tert-butyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-nitrobenzamide
CID 78858316

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide?
The IUPAC name of 4-cyano-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide (CID 134025287) is 4-cyano-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide.
What is the SMILES notation for 4-cyano-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide?
The canonical SMILES for 4-cyano-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide is N#Cc1ccc(C(=O)NCc2cn3ccsc3n2)cc1.
What is the InChIKey of 4-cyano-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide?
The InChIKey is QXBUFCSCDSTMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c15-7-10-1-3-11(4-2-10)13(19)16-8-12-9-18-5-6-20-14(18)17-12/h1-6,9H,8H2,(H,16,19).
What are the key properties of 4-cyano-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide?
4-cyano-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide has a molecular weight of 282.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide is sourced from PubChem (CID 134025287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).