2-amino-1-[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-4-methylpentan-1-one

C19H23ClFN3OS — CID 45488933

IUPAC2-amino-1-[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-4-methylpentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCc2nc(Cc3ccc(F)cc3Cl)sc2C1
InChIInChI=1S/C19H23ClFN3OS/c1-11(2)7-15(22)19(25)24-6-5-16-17(10-24)26-18(23-16)8-12-3-4-13(21)9-14(12)20/h3-4,9,11,15H,5-8,10,22H2,1-2H3
InChIKeyOUKSPOGBMNJMHA-UHFFFAOYSA-N
MW395.93 g/mol
LogP3.78
Rot. Bonds5

About 2-amino-1-[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-4-methylpentan-1-one

2-amino-1-[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-4-methylpentan-1-one (PubChem CID 45488933) has the molecular formula C19H23ClFN3OS and a molecular weight of 395.93 g/mol. Its IUPAC name is 2-amino-1-[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-4-methylpentan-1-one
PubChem CID45488933
Molecular FormulaC19H23ClFN3OS
Molecular Weight395.93 g/mol
Exact Mass395.12
IUPAC Name2-amino-1-[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-4-methylpentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCc2nc(Cc3ccc(F)cc3Cl)sc2C1
InChIInChI=1S/C19H23ClFN3OS/c1-11(2)7-15(22)19(25)24-6-5-16-17(10-24)26-18(23-16)8-12-3-4-13(21)9-14(12)20/h3-4,9,11,15H,5-8,10,22H2,1-2H3
InChIKeyOUKSPOGBMNJMHA-UHFFFAOYSA-N
XLogP3.78
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-4-methylpentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-4-methylpentan-1-one?
The IUPAC name of 2-amino-1-[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-4-methylpentan-1-one (CID 45488933) is 2-amino-1-[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-4-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-4-methylpentan-1-one?
The canonical SMILES for 2-amino-1-[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-4-methylpentan-1-one is CC(C)CC(N)C(=O)N1CCc2nc(Cc3ccc(F)cc3Cl)sc2C1.
What is the InChIKey of 2-amino-1-[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-4-methylpentan-1-one?
The InChIKey is OUKSPOGBMNJMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFN3OS/c1-11(2)7-15(22)19(25)24-6-5-16-17(10-24)26-18(23-16)8-12-3-4-13(21)9-14(12)20/h3-4,9,11,15H,5-8,10,22H2,1-2H3.
What are the key properties of 2-amino-1-[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-4-methylpentan-1-one?
2-amino-1-[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-4-methylpentan-1-one has a molecular weight of 395.93 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-4-methylpentan-1-one is sourced from PubChem (CID 45488933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).