2-(pyridine-2-carbonylamino)-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

C20H16F3N5O2S — CID 90528650

IUPAC2-(pyridine-2-carbonylamino)-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2)c1ccccn1
InChIInChI=1S/C20H16F3N5O2S/c21-20(22,23)12-4-6-13(7-5-12)25-19(30)28-10-8-14-16(11-28)31-18(26-14)27-17(29)15-3-1-2-9-24-15/h1-7,9H,8,10-11H2,(H,25,30)(H,26,27,29)
InChIKeyUBOKFVQYGFQQLL-UHFFFAOYSA-N
MW447.44 g/mol
LogP4.40
Rot. Bonds3

About 2-(pyridine-2-carbonylamino)-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

2-(pyridine-2-carbonylamino)-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 90528650) has the molecular formula C20H16F3N5O2S and a molecular weight of 447.44 g/mol. Its IUPAC name is 2-(pyridine-2-carbonylamino)-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-(pyridine-2-carbonylamino)-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID90528650
Molecular FormulaC20H16F3N5O2S
Molecular Weight447.44 g/mol
Exact Mass447.10
IUPAC Name2-(pyridine-2-carbonylamino)-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2)c1ccccn1
InChIInChI=1S/C20H16F3N5O2S/c21-20(22,23)12-4-6-13(7-5-12)25-19(30)28-10-8-14-16(11-28)31-18(26-14)27-17(29)15-3-1-2-9-24-15/h1-7,9H,8,10-11H2,(H,25,30)(H,26,27,29)
InChIKeyUBOKFVQYGFQQLL-UHFFFAOYSA-N
XLogP4.40
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90528624
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528592
N-(3,4-dimethoxyphenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90528632
N-[5-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528537
N-[5-(3-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528338
N-(4-tert-butylphenyl)-2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90532251
N-[5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527586
methyl 4-[2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl]benzoate
CID 90528278
N-[5-(2-propylpentanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528299
methyl N-[5-[(4-tert-butylphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529140
N-(2-fluorophenyl)-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 71788084
N-[5-(pyridine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526584

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-2-carbonylamino)-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of 2-(pyridine-2-carbonylamino)-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 90528650) is 2-(pyridine-2-carbonylamino)-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-(pyridine-2-carbonylamino)-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for 2-(pyridine-2-carbonylamino)-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2)c1ccccn1.
What is the InChIKey of 2-(pyridine-2-carbonylamino)-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is UBOKFVQYGFQQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O2S/c21-20(22,23)12-4-6-13(7-5-12)25-19(30)28-10-8-14-16(11-28)31-18(26-14)27-17(29)15-3-1-2-9-24-15/h1-7,9H,8,10-11H2,(H,25,30)(H,26,27,29).
What are the key properties of 2-(pyridine-2-carbonylamino)-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
2-(pyridine-2-carbonylamino)-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 447.44 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-2-carbonylamino)-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 90528650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).