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

C14H13F3N4OS — CID 46873666

IUPACN-[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)CN(c1cncc(C(F)(F)F)c1)CC2
InChIInChI=1S/C14H13F3N4OS/c1-8(22)19-13-20-11-2-3-21(7-12(11)23-13)10-4-9(5-18-6-10)14(15,16)17/h4-6H,2-3,7H2,1H3,(H,19,20,22)
InChIKeyAHEMWDWTFSIVAY-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.08
Rot. Bonds2

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

N-[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (PubChem CID 46873666) has the molecular formula C14H13F3N4OS and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
PubChem CID46873666
Molecular FormulaC14H13F3N4OS
Molecular Weight342.35 g/mol
Exact Mass342.08
IUPAC NameN-[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)CN(c1cncc(C(F)(F)F)c1)CC2
InChIInChI=1S/C14H13F3N4OS/c1-8(22)19-13-20-11-2-3-21(7-12(11)23-13)10-4-9(5-18-6-10)14(15,16)17/h4-6H,2-3,7H2,1H3,(H,19,20,22)
InChIKeyAHEMWDWTFSIVAY-UHFFFAOYSA-N
XLogP3.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The IUPAC name of N-[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (CID 46873666) is N-[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The canonical SMILES for N-[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is CC(=O)Nc1nc2c(s1)CN(c1cncc(C(F)(F)F)c1)CC2.
What is the InChIKey of N-[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The InChIKey is AHEMWDWTFSIVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4OS/c1-8(22)19-13-20-11-2-3-21(7-12(11)23-13)10-4-9(5-18-6-10)14(15,16)17/h4-6H,2-3,7H2,1H3,(H,19,20,22).
What are the key properties of N-[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
N-[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide has a molecular weight of 342.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 46873666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).