N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]formamide;2,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine

C20H22FN5OS — CID 145230352

IUPACN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]formamide;2,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
SMILESCc1nc2c(s1)CCN(C)C2.Nc1ccc(-c2ccc(F)cc2)nc1NC=O
InChIInChI=1S/C12H10FN3O.C8H12N2S/c13-9-3-1-8(2-4-9)11-6-5-10(14)12(16-11)15-7-17;1-6-9-7-5-10(2)4-3-8(7)11-6/h1-7H,14H2,(H,15,16,17);3-5H2,1-2H3
InChIKeyCLFKUVBGANQKJK-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.48
Rot. Bonds3

About N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]formamide;2,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine

N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]formamide;2,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 145230352) has the molecular formula C20H22FN5OS and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]formamide;2,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound NameN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]formamide;2,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
PubChem CID145230352
Molecular FormulaC20H22FN5OS
Molecular Weight399.50 g/mol
Exact Mass399.15
IUPAC NameN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]formamide;2,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
SMILESCc1nc2c(s1)CCN(C)C2.Nc1ccc(-c2ccc(F)cc2)nc1NC=O
InChIInChI=1S/C12H10FN3O.C8H12N2S/c13-9-3-1-8(2-4-9)11-6-5-10(14)12(16-11)15-7-17;1-6-9-7-5-10(2)4-3-8(7)11-6/h1-7H,14H2,(H,15,16,17);3-5H2,1-2H3
InChIKeyCLFKUVBGANQKJK-UHFFFAOYSA-N
XLogP3.48
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]formamide;2,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]formamide;2,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine (CID 145230352) is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]formamide;2,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]formamide;2,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]formamide;2,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine is Cc1nc2c(s1)CCN(C)C2.Nc1ccc(-c2ccc(F)cc2)nc1NC=O.
What is the InChIKey of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]formamide;2,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is CLFKUVBGANQKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O.C8H12N2S/c13-9-3-1-8(2-4-9)11-6-5-10(14)12(16-11)15-7-17;1-6-9-7-5-10(2)4-3-8(7)11-6/h1-7H,14H2,(H,15,16,17);3-5H2,1-2H3.
What are the key properties of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]formamide;2,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]formamide;2,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 399.50 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]formamide;2,5-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 145230352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).