6-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-3H-1,3-benzothiazol-2-one

C17H13F3N4OS — CID 122654641

IUPAC6-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-3H-1,3-benzothiazol-2-one
SMILESCC(C)c1nc2ccc(C(F)(F)F)nc2n1-c1ccc2[nH]c(=O)sc2c1
InChIInChI=1S/C17H13F3N4OS/c1-8(2)14-21-11-5-6-13(17(18,19)20)23-15(11)24(14)9-3-4-10-12(7-9)26-16(25)22-10/h3-8H,1-2H3,(H,22,25)
InChIKeyJTSFEGCVGYVYMS-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.47
Rot. Bonds2

About 6-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-3H-1,3-benzothiazol-2-one

6-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-3H-1,3-benzothiazol-2-one (PubChem CID 122654641) has the molecular formula C17H13F3N4OS and a molecular weight of 378.38 g/mol. Its IUPAC name is 6-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-3H-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-3H-1,3-benzothiazol-2-one
PubChem CID122654641
Molecular FormulaC17H13F3N4OS
Molecular Weight378.38 g/mol
Exact Mass378.08
IUPAC Name6-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-3H-1,3-benzothiazol-2-one
SMILESCC(C)c1nc2ccc(C(F)(F)F)nc2n1-c1ccc2[nH]c(=O)sc2c1
InChIInChI=1S/C17H13F3N4OS/c1-8(2)14-21-11-5-6-13(17(18,19)20)23-15(11)24(14)9-3-4-10-12(7-9)26-16(25)22-10/h3-8H,1-2H3,(H,22,25)
InChIKeyJTSFEGCVGYVYMS-UHFFFAOYSA-N
XLogP4.47
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 153345504
3-(1H-indazol-5-yl)-2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122654554
2-oxo-3H-1,3-benzothiazole-6-sulfonyl fluoride
CID 165459367
1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol
CID 122654553
2,5-dimethyl-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]imidazo[4,5-b]pyridine
CID 162615527
2-(5-fluoro-2-pyridinyl)-3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122654838
3-(1H-indazol-5-yl)-2-thiophen-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122654519
3-[3-chloro-4-(trifluoromethoxy)phenyl]-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 153345637
3-(2,3-dihydro-1H-indol-5-yl)-2-(3-methyloxetan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 175719388
N-[1-[3-phenyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine
CID 70980277
CID 58973899
CID 58973899
6-[2-(4-fluorophenyl)imidazol-1-yl]-3H-1,3-benzothiazol-2-one
CID 172772023

Frequently Asked Questions

What is the IUPAC name of 6-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-3H-1,3-benzothiazol-2-one?
The IUPAC name of 6-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-3H-1,3-benzothiazol-2-one (CID 122654641) is 6-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-3H-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-3H-1,3-benzothiazol-2-one?
The canonical SMILES for 6-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-3H-1,3-benzothiazol-2-one is CC(C)c1nc2ccc(C(F)(F)F)nc2n1-c1ccc2[nH]c(=O)sc2c1.
What is the InChIKey of 6-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-3H-1,3-benzothiazol-2-one?
The InChIKey is JTSFEGCVGYVYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4OS/c1-8(2)14-21-11-5-6-13(17(18,19)20)23-15(11)24(14)9-3-4-10-12(7-9)26-16(25)22-10/h3-8H,1-2H3,(H,22,25).
What are the key properties of 6-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-3H-1,3-benzothiazol-2-one?
6-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-3H-1,3-benzothiazol-2-one has a molecular weight of 378.38 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-3H-1,3-benzothiazol-2-one is sourced from PubChem (CID 122654641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).