N-[2-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C21H20ClN5O2S — CID 53322387

IUPACN-[2-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)Nc3ccccc3CC(=O)Nc3ccc(Cl)cn3)sc2C1
InChIInChI=1S/C21H20ClN5O2S/c1-27-9-8-16-17(12-27)30-21(25-16)20(29)24-15-5-3-2-4-13(15)10-19(28)26-18-7-6-14(22)11-23-18/h2-7,11H,8-10,12H2,1H3,(H,24,29)(H,23,26,28)
InChIKeyCCJLFCBFSXJDJJ-UHFFFAOYSA-N
MW441.94 g/mol
LogP3.61
Rot. Bonds5

About N-[2-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[2-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 53322387) has the molecular formula C21H20ClN5O2S and a molecular weight of 441.94 g/mol. Its IUPAC name is N-[2-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID53322387
Molecular FormulaC21H20ClN5O2S
Molecular Weight441.94 g/mol
Exact Mass441.10
IUPAC NameN-[2-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)Nc3ccccc3CC(=O)Nc3ccc(Cl)cn3)sc2C1
InChIInChI=1S/C21H20ClN5O2S/c1-27-9-8-16-17(12-27)30-21(25-16)20(29)24-15-5-3-2-4-13(15)10-19(28)26-18-7-6-14(22)11-23-18/h2-7,11H,8-10,12H2,1H3,(H,24,29)(H,23,26,28)
InChIKeyCCJLFCBFSXJDJJ-UHFFFAOYSA-N
XLogP3.61
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 53322387) is N-[2-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)Nc3ccccc3CC(=O)Nc3ccc(Cl)cn3)sc2C1.
What is the InChIKey of N-[2-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is CCJLFCBFSXJDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2S/c1-27-9-8-16-17(12-27)30-21(25-16)20(29)24-15-5-3-2-4-13(15)10-19(28)26-18-7-6-14(22)11-23-18/h2-7,11H,8-10,12H2,1H3,(H,24,29)(H,23,26,28).
What are the key properties of N-[2-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[2-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 441.94 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 53322387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).