N-(1-methoxypropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide

C19H22F3N3O2S — CID 110244348

IUPACN-(1-methoxypropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
SMILESCOCC(C)NC(=O)CN1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1
InChIInChI=1S/C19H22F3N3O2S/c1-12(11-27-2)23-17(26)10-25-8-7-15-16(9-25)28-18(24-15)13-3-5-14(6-4-13)19(20,21)22/h3-6,12H,7-11H2,1-2H3,(H,23,26)
InChIKeyODRQRVZKTDRMOP-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.34
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide

N-(1-methoxypropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide (PubChem CID 110244348) has the molecular formula C19H22F3N3O2S and a molecular weight of 413.47 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
PubChem CID110244348
Molecular FormulaC19H22F3N3O2S
Molecular Weight413.47 g/mol
Exact Mass413.14
IUPAC NameN-(1-methoxypropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
SMILESCOCC(C)NC(=O)CN1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1
InChIInChI=1S/C19H22F3N3O2S/c1-12(11-27-2)23-17(26)10-25-8-7-15-16(9-25)28-18(24-15)13-3-5-14(6-4-13)19(20,21)22/h3-6,12H,7-11H2,1-2H3,(H,23,26)
InChIKeyODRQRVZKTDRMOP-UHFFFAOYSA-N
XLogP3.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 110244347
N-[(2R)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277697
N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 92616683
methyl N-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529033
2-(2-fluorophenoxy)-1-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
CID 95851662
5-methyl-2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
CID 145128379
N-(1-methoxypropan-2-yl)-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 134049511
N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 84603980
1-(4-cyclobutylpiperazin-1-yl)-2-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
CID 57420837
N-[5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 90531738
ethyl N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528051
2-[4-[(E)-ethylidene-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-λ4-sulfanyl]-2-methylphenoxy]acetic acid
CID 162553357

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide (CID 110244348) is N-(1-methoxypropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide is COCC(C)NC(=O)CN1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide?
The InChIKey is ODRQRVZKTDRMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2S/c1-12(11-27-2)23-17(26)10-25-8-7-15-16(9-25)28-18(24-15)13-3-5-14(6-4-13)19(20,21)22/h3-6,12H,7-11H2,1-2H3,(H,23,26).
What are the key properties of N-(1-methoxypropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide?
N-(1-methoxypropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide has a molecular weight of 413.47 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 110244348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).