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

C20H20Cl2N4O2S2 — CID 51351553

IUPACN-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
SMILESCN1CCc2nc(C(=O)Nc3ccccc3CNC(=O)c3ccc(Cl)s3)sc2C1.Cl
InChIInChI=1S/C20H19ClN4O2S2.ClH/c1-25-9-8-14-16(11-25)29-20(24-14)19(27)23-13-5-3-2-4-12(13)10-22-18(26)15-6-7-17(21)28-15;/h2-7H,8-11H2,1H3,(H,22,26)(H,23,27);1H
InChIKeyYUHSKSYNWSOZKF-UHFFFAOYSA-N
MW483.45 g/mol
LogP4.45
Rot. Bonds5

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

N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (PubChem CID 51351553) has the molecular formula C20H20Cl2N4O2S2 and a molecular weight of 483.45 g/mol. Its IUPAC name is N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
PubChem CID51351553
Molecular FormulaC20H20Cl2N4O2S2
Molecular Weight483.45 g/mol
Exact Mass482.04
IUPAC NameN-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
SMILESCN1CCc2nc(C(=O)Nc3ccccc3CNC(=O)c3ccc(Cl)s3)sc2C1.Cl
InChIInChI=1S/C20H19ClN4O2S2.ClH/c1-25-9-8-14-16(11-25)29-20(24-14)19(27)23-13-5-3-2-4-12(13)10-22-18(26)15-6-7-17(21)28-15;/h2-7H,8-11H2,1H3,(H,22,26)(H,23,27);1H
InChIKeyYUHSKSYNWSOZKF-UHFFFAOYSA-N
XLogP4.45
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (CID 51351553) is N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is CN1CCc2nc(C(=O)Nc3ccccc3CNC(=O)c3ccc(Cl)s3)sc2C1.Cl.
What is the InChIKey of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
The InChIKey is YUHSKSYNWSOZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S2.ClH/c1-25-9-8-14-16(11-25)29-20(24-14)19(27)23-13-5-3-2-4-12(13)10-22-18(26)15-6-7-17(21)28-15;/h2-7H,8-11H2,1H3,(H,22,26)(H,23,27);1H.
What are the key properties of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?
N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride has a molecular weight of 483.45 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 51351553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).