N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,5-bis(trifluoromethyl)benzamide

C16H13F6N3O3S2 — CID 90530919

IUPACN-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESCS(=O)(=O)N1CCc2nc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)sc2C1
InChIInChI=1S/C16H13F6N3O3S2/c1-30(27,28)25-3-2-11-12(7-25)29-14(23-11)24-13(26)8-4-9(15(17,18)19)6-10(5-8)16(20,21)22/h4-6H,2-3,7H2,1H3,(H,23,24,26)
InChIKeyMRVLFSCTZSPFFQ-UHFFFAOYSA-N
MW473.42 g/mol
LogP3.75
Rot. Bonds3

About N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,5-bis(trifluoromethyl)benzamide

N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 90530919) has the molecular formula C16H13F6N3O3S2 and a molecular weight of 473.42 g/mol. Its IUPAC name is N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID90530919
Molecular FormulaC16H13F6N3O3S2
Molecular Weight473.42 g/mol
Exact Mass473.03
IUPAC NameN-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESCS(=O)(=O)N1CCc2nc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)sc2C1
InChIInChI=1S/C16H13F6N3O3S2/c1-30(27,28)25-3-2-11-12(7-25)29-14(23-11)24-13(26)8-4-9(15(17,18)19)6-10(5-8)16(20,21)22/h4-6H,2-3,7H2,1H3,(H,23,24,26)
InChIKeyMRVLFSCTZSPFFQ-UHFFFAOYSA-N
XLogP3.75
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90530911
1-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 71788268
1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)triazole-4-carboxamide
CID 71788261
2-chloro-6-fluoro-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 71788247
2-methylsulfanyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90530958
1-[5-(dimethylsulfamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90533144
3,4,5-triethoxy-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532439
1-propan-2-yl-3-[5-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 71788169
N-[5-[3,5-bis(trifluoromethyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526504
1-methyl-N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpyrazole-5-carboxamide
CID 90530891
1-(4-chlorophenyl)-3-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 90530991
4-fluoro-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532715

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,5-bis(trifluoromethyl)benzamide (CID 90530919) is N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,5-bis(trifluoromethyl)benzamide is CS(=O)(=O)N1CCc2nc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)sc2C1.
What is the InChIKey of N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is MRVLFSCTZSPFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N3O3S2/c1-30(27,28)25-3-2-11-12(7-25)29-14(23-11)24-13(26)8-4-9(15(17,18)19)6-10(5-8)16(20,21)22/h4-6H,2-3,7H2,1H3,(H,23,24,26).
What are the key properties of N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,5-bis(trifluoromethyl)benzamide?
N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 473.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 90530919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).