N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(1,2,4-triazol-4-yl)benzamide

C15H14N6OS — CID 119069853

IUPACN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCc1cn2c(n1)SCC2)c1ccccc1-n1cnnc1
InChIInChI=1S/C15H14N6OS/c22-14(16-7-11-8-20-5-6-23-15(20)19-11)12-3-1-2-4-13(12)21-9-17-18-10-21/h1-4,8-10H,5-7H2,(H,16,22)
InChIKeyFMKANRMPKYWKIC-UHFFFAOYSA-N
MW326.38 g/mol
LogP1.50
Rot. Bonds4

About N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(1,2,4-triazol-4-yl)benzamide

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(1,2,4-triazol-4-yl)benzamide (PubChem CID 119069853) has the molecular formula C15H14N6OS and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(1,2,4-triazol-4-yl)benzamide
PubChem CID119069853
Molecular FormulaC15H14N6OS
Molecular Weight326.38 g/mol
Exact Mass326.09
IUPAC NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NCc1cn2c(n1)SCC2)c1ccccc1-n1cnnc1
InChIInChI=1S/C15H14N6OS/c22-14(16-7-11-8-20-5-6-23-15(20)19-11)12-3-1-2-4-13(12)21-9-17-18-10-21/h1-4,8-10H,5-7H2,(H,16,22)
InChIKeyFMKANRMPKYWKIC-UHFFFAOYSA-N
XLogP1.50
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1H-pyrrole-3-carboxamide
CID 125420333
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methoxyquinoline-4-carboxamide
CID 74238706
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 74246877
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 56913786
5-acetyl-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-3-carboxamide
CID 72843322
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 74232440
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 70740816
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 70757035
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 77082254
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 121494507
4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)butanoic acid
CID 83885795
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-phenylimidazol-1-yl)acetamide
CID 72928761

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(1,2,4-triazol-4-yl)benzamide (CID 119069853) is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(1,2,4-triazol-4-yl)benzamide is O=C(NCc1cn2c(n1)SCC2)c1ccccc1-n1cnnc1.
What is the InChIKey of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is FMKANRMPKYWKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS/c22-14(16-7-11-8-20-5-6-23-15(20)19-11)12-3-1-2-4-13(12)21-9-17-18-10-21/h1-4,8-10H,5-7H2,(H,16,22).
What are the key properties of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(1,2,4-triazol-4-yl)benzamide?
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 326.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 119069853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).