N-[2-cyclopropyl-4-methyl-6-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide

C22H27F3N4OS — CID 176711240

IUPACN-[2-cyclopropyl-4-methyl-6-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
SMILESCc1cc(N2CCc3nc(C(F)(F)F)sc3C2)nc(C2CC2)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C22H27F3N4OS/c1-12-9-16(29-8-7-14-15(11-29)31-20(26-14)22(23,24)25)27-19(13-5-6-13)18(12)28-17(30)10-21(2,3)4/h9,13H,5-8,10-11H2,1-4H3,(H,28,30)
InChIKeyBKCSMRGNYFYGPY-UHFFFAOYSA-N
MW452.55 g/mol
LogP5.68
Rot. Bonds4

About N-[2-cyclopropyl-4-methyl-6-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide

N-[2-cyclopropyl-4-methyl-6-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide (PubChem CID 176711240) has the molecular formula C22H27F3N4OS and a molecular weight of 452.55 g/mol. Its IUPAC name is N-[2-cyclopropyl-4-methyl-6-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-4-methyl-6-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
PubChem CID176711240
Molecular FormulaC22H27F3N4OS
Molecular Weight452.55 g/mol
Exact Mass452.19
IUPAC NameN-[2-cyclopropyl-4-methyl-6-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
SMILESCc1cc(N2CCc3nc(C(F)(F)F)sc3C2)nc(C2CC2)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C22H27F3N4OS/c1-12-9-16(29-8-7-14-15(11-29)31-20(26-14)22(23,24)25)27-19(13-5-6-13)18(12)28-17(30)10-21(2,3)4/h9,13H,5-8,10-11H2,1-4H3,(H,28,30)
InChIKeyBKCSMRGNYFYGPY-UHFFFAOYSA-N
XLogP5.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-cyclopropyl-4-methyl-6-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-4-methyl-6-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-cyclopropyl-4-methyl-6-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide (CID 176711240) is N-[2-cyclopropyl-4-methyl-6-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-cyclopropyl-4-methyl-6-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-cyclopropyl-4-methyl-6-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide is Cc1cc(N2CCc3nc(C(F)(F)F)sc3C2)nc(C2CC2)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-cyclopropyl-4-methyl-6-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide?
The InChIKey is BKCSMRGNYFYGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4OS/c1-12-9-16(29-8-7-14-15(11-29)31-20(26-14)22(23,24)25)27-19(13-5-6-13)18(12)28-17(30)10-21(2,3)4/h9,13H,5-8,10-11H2,1-4H3,(H,28,30).
What are the key properties of N-[2-cyclopropyl-4-methyl-6-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide?
N-[2-cyclopropyl-4-methyl-6-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide has a molecular weight of 452.55 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-4-methyl-6-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 176711240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).