2,3-dimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

C13H17F3N2OS — CID 123352978

IUPAC2,3-dimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCc1sc2c(c1C)CCN(C(=O)NCCC(F)(F)F)C2
InChIInChI=1S/C13H17F3N2OS/c1-8-9(2)20-11-7-18(6-3-10(8)11)12(19)17-5-4-13(14,15)16/h3-7H2,1-2H3,(H,17,19)
InChIKeyIVYYIFMTVSMQOC-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.39
Rot. Bonds2

About 2,3-dimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

2,3-dimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (PubChem CID 123352978) has the molecular formula C13H17F3N2OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 2,3-dimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
PubChem CID123352978
Molecular FormulaC13H17F3N2OS
Molecular Weight306.35 g/mol
Exact Mass306.10
IUPAC Name2,3-dimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCc1sc2c(c1C)CCN(C(=O)NCCC(F)(F)F)C2
InChIInChI=1S/C13H17F3N2OS/c1-8-9(2)20-11-7-18(6-3-10(8)11)12(19)17-5-4-13(14,15)16/h3-7H2,1-2H3,(H,17,19)
InChIKeyIVYYIFMTVSMQOC-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide with MolForge

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Related Compounds

(4S)-4-methyl-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 6929674
tert-butyl 3-(aminomethyl)-2-(trifluoromethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 118462247
N,2,3-trimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 123586112
3-Methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 141196504
4-methyl-N-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 2806289
N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47139405
4-methyl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47252631
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47376434
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51084676
1-[1-(2,5-Dimethylthiophen-3-yl)ethyl]-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
CID 87006513
N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94119356
N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94119357

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (CID 123352978) is 2,3-dimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is Cc1sc2c(c1C)CCN(C(=O)NCCC(F)(F)F)C2.
What is the InChIKey of 2,3-dimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The InChIKey is IVYYIFMTVSMQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2OS/c1-8-9(2)20-11-7-18(6-3-10(8)11)12(19)17-5-4-13(14,15)16/h3-7H2,1-2H3,(H,17,19).
What are the key properties of 2,3-dimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
2,3-dimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 123352978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).