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

C15H15FN4O2S — CID 90480656

IUPAC2-acetamido-N-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCC(=O)Nc1nc2c(s1)CN(C(=O)Nc1ccc(F)cc1)CC2
InChIInChI=1S/C15H15FN4O2S/c1-9(21)17-14-19-12-6-7-20(8-13(12)23-14)15(22)18-11-4-2-10(16)3-5-11/h2-5H,6-8H2,1H3,(H,18,22)(H,17,19,21)
InChIKeyTUGPOSSUQHAZSG-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.83
Rot. Bonds2

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

2-acetamido-N-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 90480656) has the molecular formula C15H15FN4O2S and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-acetamido-N-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID90480656
Molecular FormulaC15H15FN4O2S
Molecular Weight334.38 g/mol
Exact Mass334.09
IUPAC Name2-acetamido-N-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCC(=O)Nc1nc2c(s1)CN(C(=O)Nc1ccc(F)cc1)CC2
InChIInChI=1S/C15H15FN4O2S/c1-9(21)17-14-19-12-6-7-20(8-13(12)23-14)15(22)18-11-4-2-10(16)3-5-11/h2-5H,6-8H2,1H3,(H,18,22)(H,17,19,21)
InChIKeyTUGPOSSUQHAZSG-UHFFFAOYSA-N
XLogP2.83
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[5-[(4-tert-butylphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529140
N-(4-methylphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90530121
ethyl N-[5-[(4-methylphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528142
methyl N-[5-[(4-ethoxyphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529132
N-(4-chlorophenyl)-2-(pyridine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90528624
N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90527213
N-(4-tert-butylphenyl)-2-(thiophene-3-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90532251
2-(pyridine-2-carbonylamino)-N-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90528650
N-(4-butoxyphenyl)-2-(cyclopropanecarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90525845
N-(4-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90530128
2-(cyclobutanecarbonylamino)-N-(4-ethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90531388
N-[5-(2-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525044

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of 2-acetamido-N-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 90480656) is 2-acetamido-N-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-acetamido-N-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for 2-acetamido-N-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is CC(=O)Nc1nc2c(s1)CN(C(=O)Nc1ccc(F)cc1)CC2.
What is the InChIKey of 2-acetamido-N-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is TUGPOSSUQHAZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2S/c1-9(21)17-14-19-12-6-7-20(8-13(12)23-14)15(22)18-11-4-2-10(16)3-5-11/h2-5H,6-8H2,1H3,(H,18,22)(H,17,19,21).
What are the key properties of 2-acetamido-N-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
2-acetamido-N-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 90480656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).