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

C12H8F3N3O2S2 — CID 145044061

IUPACN-methylsulfanyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
SMILESCSNC(=O)c1cn2c(n1)sc1cc(OC(F)(F)F)ccc12
InChIInChI=1S/C12H8F3N3O2S2/c1-21-17-10(19)7-5-18-8-3-2-6(20-12(13,14)15)4-9(8)22-11(18)16-7/h2-5H,1H3,(H,17,19)
InChIKeyHHVGIBNVPUOBRB-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.46
Rot. Bonds3

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

N-methylsulfanyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide (PubChem CID 145044061) has the molecular formula C12H8F3N3O2S2 and a molecular weight of 347.34 g/mol. Its IUPAC name is N-methylsulfanyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-methylsulfanyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
PubChem CID145044061
Molecular FormulaC12H8F3N3O2S2
Molecular Weight347.34 g/mol
Exact Mass347.00
IUPAC NameN-methylsulfanyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
SMILESCSNC(=O)c1cn2c(n1)sc1cc(OC(F)(F)F)ccc12
InChIInChI=1S/C12H8F3N3O2S2/c1-21-17-10(19)7-5-18-8-3-2-6(20-12(13,14)15)4-9(8)22-11(18)16-7/h2-5H,1H3,(H,17,19)
InChIKeyHHVGIBNVPUOBRB-UHFFFAOYSA-N
XLogP3.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methylsulfanyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methylsulfonyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 118971108
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
ethyl 6-methylsulfanylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 118971263
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
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
2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571923
4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 155816468
5,6-dichloro-N-(2,2,2-trifluoroethylsulfanyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 145044074
2-methylsulfanyl-6-(trifluoromethoxy)-1,3-benzothiazole
CID 44820103
ethane;2-[(3E)-penta-1,3-dien-3-yl]imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid;prop-1-ene
CID 170717195

Frequently Asked Questions

What is the IUPAC name of N-methylsulfanyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The IUPAC name of N-methylsulfanyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide (CID 145044061) is N-methylsulfanyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide.
What is the SMILES notation for N-methylsulfanyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The canonical SMILES for N-methylsulfanyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide is CSNC(=O)c1cn2c(n1)sc1cc(OC(F)(F)F)ccc12.
What is the InChIKey of N-methylsulfanyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The InChIKey is HHVGIBNVPUOBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2S2/c1-21-17-10(19)7-5-18-8-3-2-6(20-12(13,14)15)4-9(8)22-11(18)16-7/h2-5H,1H3,(H,17,19).
What are the key properties of N-methylsulfanyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
N-methylsulfanyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide has a molecular weight of 347.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfanyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide is sourced from PubChem (CID 145044061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).