N-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C21H20FN5O3S — CID 155564398

IUPACN-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3c(s2)CN(C)CC3)c(C(=O)Nc2ccc(F)cn2)c1
InChIInChI=1S/C21H20FN5O3S/c1-27-8-7-16-17(11-27)31-21(25-16)20(29)24-15-5-4-13(30-2)9-14(15)19(28)26-18-6-3-12(22)10-23-18/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,29)(H,23,26,28)
InChIKeyMESLDICLZXVBQU-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.18
Rot. Bonds5

About N-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 155564398) has the molecular formula C21H20FN5O3S and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID155564398
Molecular FormulaC21H20FN5O3S
Molecular Weight441.49 g/mol
Exact Mass441.13
IUPAC NameN-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3c(s2)CN(C)CC3)c(C(=O)Nc2ccc(F)cn2)c1
InChIInChI=1S/C21H20FN5O3S/c1-27-8-7-16-17(11-27)31-21(25-16)20(29)24-15-5-4-13(30-2)9-14(15)19(28)26-18-6-3-12(22)10-23-18/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,29)(H,23,26,28)
InChIKeyMESLDICLZXVBQU-UHFFFAOYSA-N
XLogP3.18
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 155564398) is N-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is COc1ccc(NC(=O)c2nc3c(s2)CN(C)CC3)c(C(=O)Nc2ccc(F)cn2)c1.
What is the InChIKey of N-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is MESLDICLZXVBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O3S/c1-27-8-7-16-17(11-27)31-21(25-16)20(29)24-15-5-4-13(30-2)9-14(15)19(28)26-18-6-3-12(22)10-23-18/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,29)(H,23,26,28).
What are the key properties of N-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 155564398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).