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

C9H11F3N4OS — CID 108866001

IUPAC1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(trifluoromethyl)urea
SMILESCN1CCc2nc(NC(=O)NC(F)(F)F)sc2C1
InChIInChI=1S/C9H11F3N4OS/c1-16-3-2-5-6(4-16)18-8(13-5)14-7(17)15-9(10,11)12/h2-4H2,1H3,(H2,13,14,15,17)
InChIKeyADUROIVGXLZBAK-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.77
Rot. Bonds1

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

1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(trifluoromethyl)urea (PubChem CID 108866001) has the molecular formula C9H11F3N4OS and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(trifluoromethyl)urea.

Molecular Properties

Compound Name1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(trifluoromethyl)urea
PubChem CID108866001
Molecular FormulaC9H11F3N4OS
Molecular Weight280.28 g/mol
Exact Mass280.06
IUPAC Name1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(trifluoromethyl)urea
SMILESCN1CCc2nc(NC(=O)NC(F)(F)F)sc2C1
InChIInChI=1S/C9H11F3N4OS/c1-16-3-2-5-6(4-16)18-8(13-5)14-7(17)15-9(10,11)12/h2-4H2,1H3,(H2,13,14,15,17)
InChIKeyADUROIVGXLZBAK-UHFFFAOYSA-N
XLogP1.77
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 2397998
5-Ethyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-amine
CID 2084043
1-Ethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 43593384
Thiazolo(5,4-c)pyridine-5(4H)-carboxamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-cyclopropyl-
CID 3062333
Thiazolo(5,4-c)pyridine-5(4H)-carboxamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-methyl-
CID 3062334
Thiazolo(5,4-c)pyridine-5(4H)-carboxamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-cyclohexyl-
CID 3062335
Thiazolo(5,4-c)pyridine-5(4H)-carboxamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-ethyl-
CID 3062336
Thiazolo(5,4-c)pyridine-5(4H)-carboxamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-butyl-
CID 3062337
Thiazolo(5,4-c)pyridine-5(4H)-carboxamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-(1-methylethyl)-
CID 3062338
Thiazolo(5,4-c)pyridine-5(4H)-carbothioamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-(1-methylethyl)-
CID 3062339
Thiazolo(5,4-c)pyridine-5(4H)-carboximidamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-cyano-N'-methyl-
CID 3062340
Thiazolo(5,4-c)pyridine-5(4H)-carboxamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-propyl-
CID 3062353

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(trifluoromethyl)urea?
The IUPAC name of 1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(trifluoromethyl)urea (CID 108866001) is 1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(trifluoromethyl)urea.
What is the SMILES notation for 1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(trifluoromethyl)urea?
The canonical SMILES for 1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(trifluoromethyl)urea is CN1CCc2nc(NC(=O)NC(F)(F)F)sc2C1.
What is the InChIKey of 1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(trifluoromethyl)urea?
The InChIKey is ADUROIVGXLZBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4OS/c1-16-3-2-5-6(4-16)18-8(13-5)14-7(17)15-9(10,11)12/h2-4H2,1H3,(H2,13,14,15,17).
What are the key properties of 1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(trifluoromethyl)urea?
1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(trifluoromethyl)urea has a molecular weight of 280.28 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(trifluoromethyl)urea is sourced from PubChem (CID 108866001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).