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

C21H20ClN5O2S — CID 53319727

IUPACN-[2-[[(4-chloropyridine-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)Nc3ccccc3CNC(=O)c3cc(Cl)ccn3)sc2C1
InChIInChI=1S/C21H20ClN5O2S/c1-27-9-7-16-18(12-27)30-21(26-16)20(29)25-15-5-3-2-4-13(15)11-24-19(28)17-10-14(22)6-8-23-17/h2-6,8,10H,7,9,11-12H2,1H3,(H,24,28)(H,25,29)
InChIKeyZCDCCJOGXXLQMK-UHFFFAOYSA-N
MW441.94 g/mol
LogP3.36
Rot. Bonds5

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

N-[2-[[(4-chloropyridine-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 53319727) has the molecular formula C21H20ClN5O2S and a molecular weight of 441.94 g/mol. Its IUPAC name is N-[2-[[(4-chloropyridine-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(4-chloropyridine-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID53319727
Molecular FormulaC21H20ClN5O2S
Molecular Weight441.94 g/mol
Exact Mass441.10
IUPAC NameN-[2-[[(4-chloropyridine-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)Nc3ccccc3CNC(=O)c3cc(Cl)ccn3)sc2C1
InChIInChI=1S/C21H20ClN5O2S/c1-27-9-7-16-18(12-27)30-21(26-16)20(29)25-15-5-3-2-4-13(15)11-24-19(28)17-10-14(22)6-8-23-17/h2-6,8,10H,7,9,11-12H2,1H3,(H,24,28)(H,25,29)
InChIKeyZCDCCJOGXXLQMK-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 62535920
N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(morpholine-4-carbonyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 25051118
N-[2-[(4-chlorophenyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 155533938
4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
[3-anilino-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid
CID 69483112
ethyl 2-[4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]phenyl]acetate
CID 54583290
1-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 108901473
N-[3-anilino-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]-N'-(5-chloro-2-pyridinyl)oxamide
CID 10370097
N-(2-chloro-3-pyridinyl)-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108520447
N-[3-[[2-[4-chloro-2-(dimethylcarbamoyl)anilino]-2-oxoethanethioyl]amino]-1-(dimethylamino)-1-oxopropan-2-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58893653
N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide
CID 57327120
(3S)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-4-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]butanoic acid
CID 54586168

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-chloropyridine-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-[[(4-chloropyridine-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 53319727) is N-[2-[[(4-chloropyridine-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[[(4-chloropyridine-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[[(4-chloropyridine-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)Nc3ccccc3CNC(=O)c3cc(Cl)ccn3)sc2C1.
What is the InChIKey of N-[2-[[(4-chloropyridine-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is ZCDCCJOGXXLQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2S/c1-27-9-7-16-18(12-27)30-21(26-16)20(29)25-15-5-3-2-4-13(15)11-24-19(28)17-10-14(22)6-8-23-17/h2-6,8,10H,7,9,11-12H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-[[(4-chloropyridine-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[2-[[(4-chloropyridine-2-carbonyl)amino]methyl]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 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-chloropyridine-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 53319727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).