N-methylsulfonyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide

C12H8F3N3O4S2 — CID 118971108

IUPACN-methylsulfonyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cn2c(n1)sc1cc(OC(F)(F)F)ccc12
InChIInChI=1S/C12H8F3N3O4S2/c1-24(20,21)17-10(19)7-5-18-8-3-2-6(22-12(13,14)15)4-9(8)23-11(18)16-7/h2-5H,1H3,(H,17,19)
InChIKeyOZGFUHDPEXQNIR-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.14
Rot. Bonds3

About N-methylsulfonyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide

N-methylsulfonyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide (PubChem CID 118971108) has the molecular formula C12H8F3N3O4S2 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-methylsulfonyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-methylsulfonyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
PubChem CID118971108
Molecular FormulaC12H8F3N3O4S2
Molecular Weight379.34 g/mol
Exact Mass378.99
IUPAC NameN-methylsulfonyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cn2c(n1)sc1cc(OC(F)(F)F)ccc12
InChIInChI=1S/C12H8F3N3O4S2/c1-24(20,21)17-10(19)7-5-18-8-3-2-6(22-12(13,14)15)4-9(8)23-11(18)16-7/h2-5H,1H3,(H,17,19)
InChIKeyOZGFUHDPEXQNIR-UHFFFAOYSA-N
XLogP2.14
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methylsulfanyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 145044061
5,6-dichloro-N-methylsulfonylimidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 118971105
methyl 6-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 122367514
7-chloro-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
CID 118971303
N-methyl-4-[2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxypyridine-2-carboxamide
CID 155816359
methyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067629
2-propan-2-yl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 177144030
3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
CID 35994079
methyl 1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylate
CID 58397510
6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
CID 10243643
6-amino-2-methylpyridazin-3-one;6-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid;6-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 169425284
ethyl 6-methylsulfanylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 118971263

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The IUPAC name of N-methylsulfonyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide (CID 118971108) is N-methylsulfonyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide.
What is the SMILES notation for N-methylsulfonyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The canonical SMILES for N-methylsulfonyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide is CS(=O)(=O)NC(=O)c1cn2c(n1)sc1cc(OC(F)(F)F)ccc12.
What is the InChIKey of N-methylsulfonyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The InChIKey is OZGFUHDPEXQNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O4S2/c1-24(20,21)17-10(19)7-5-18-8-3-2-6(22-12(13,14)15)4-9(8)23-11(18)16-7/h2-5H,1H3,(H,17,19).
What are the key properties of N-methylsulfonyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
N-methylsulfonyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide is sourced from PubChem (CID 118971108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).