N-(7-methyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide

C20H19F3N4O2S — CID 11373957

IUPACN-(7-methyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1cc(N2CCCC2)nc2sc(NC(=O)COc3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C20H19F3N4O2S/c1-12-10-15(27-8-2-3-9-27)24-18-17(12)26-19(30-18)25-16(28)11-29-14-6-4-13(5-7-14)20(21,22)23/h4-7,10H,2-3,8-9,11H2,1H3,(H,25,26,28)
InChIKeyRZUCZYRZGGUXQD-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.64
Rot. Bonds5

About N-(7-methyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide

N-(7-methyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 11373957) has the molecular formula C20H19F3N4O2S and a molecular weight of 436.46 g/mol. Its IUPAC name is N-(7-methyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(7-methyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID11373957
Molecular FormulaC20H19F3N4O2S
Molecular Weight436.46 g/mol
Exact Mass436.12
IUPAC NameN-(7-methyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1cc(N2CCCC2)nc2sc(NC(=O)COc3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C20H19F3N4O2S/c1-12-10-15(27-8-2-3-9-27)24-18-17(12)26-19(30-18)25-16(28)11-29-14-6-4-13(5-7-14)20(21,22)23/h4-7,10H,2-3,8-9,11H2,1H3,(H,25,26,28)
InChIKeyRZUCZYRZGGUXQD-UHFFFAOYSA-N
XLogP4.64
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(oxolan-3-ylmethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
CID 72713518
(5Z)-5-[[4-[2-[1,3-benzothiazol-2-yl(methyl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10431756
5-Amino-2-(4-fluorophenyl)-7-(4-(2-phenoxyacetyl)-piperazin-1-yl)-thiazolo[5,4-d]pyrimidine
CID 50941963
1-[4-[5-Amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 50941964
1-ethyl-3-[6-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-[(3R)-oxolan-3-yl]oxy-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
CID 72713519
(5Z)-5-[[4-[2-[1,3-benzothiazol-2-yl(ethyl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 137643813
US10150728, Example I-228
CID 122497194
US10150728, Example I-278
CID 122497543
US10150728, Example I-254
CID 122497617
N-[6-(acetylamino)-1,3-benzothiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 1092962
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-[4-(trifluoromethyl)anilino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805562
4-[(4-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-2-yl)amino]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134808948

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(7-methyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 11373957) is N-(7-methyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(7-methyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(7-methyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide is Cc1cc(N2CCCC2)nc2sc(NC(=O)COc3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of N-(7-methyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is RZUCZYRZGGUXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2S/c1-12-10-15(27-8-2-3-9-27)24-18-17(12)26-19(30-18)25-16(28)11-29-14-6-4-13(5-7-14)20(21,22)23/h4-7,10H,2-3,8-9,11H2,1H3,(H,25,26,28).
What are the key properties of N-(7-methyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-(7-methyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 436.46 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-5-pyrrolidin-1-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 11373957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).