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

C22H22ClN5O3S2 — CID 25051116

IUPACN-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2ccc(Cl)s2)c1NC(=O)c1nc2c(s1)CN(C)CC2
InChIInChI=1S/C22H22ClN5O3S2/c1-24-19(29)13-5-3-4-12(10-25-20(30)15-6-7-17(23)32-15)18(13)27-21(31)22-26-14-8-9-28(2)11-16(14)33-22/h3-7H,8-11H2,1-2H3,(H,24,29)(H,25,30)(H,27,31)
InChIKeyPXPPQDNZBSIYOH-UHFFFAOYSA-N
MW504.04 g/mol
LogP3.39
Rot. Bonds6

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

N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 25051116) has the molecular formula C22H22ClN5O3S2 and a molecular weight of 504.04 g/mol. Its IUPAC name is N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID25051116
Molecular FormulaC22H22ClN5O3S2
Molecular Weight504.04 g/mol
Exact Mass503.09
IUPAC NameN-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2ccc(Cl)s2)c1NC(=O)c1nc2c(s1)CN(C)CC2
InChIInChI=1S/C22H22ClN5O3S2/c1-24-19(29)13-5-3-4-12(10-25-20(30)15-6-7-17(23)32-15)18(13)27-21(31)22-26-14-8-9-28(2)11-16(14)33-22/h3-7H,8-11H2,1-2H3,(H,24,29)(H,25,30)(H,27,31)
InChIKeyPXPPQDNZBSIYOH-UHFFFAOYSA-N
XLogP3.39
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.04
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 25051116) is N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CNC(=O)c1cccc(CNC(=O)c2ccc(Cl)s2)c1NC(=O)c1nc2c(s1)CN(C)CC2.
What is the InChIKey of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is PXPPQDNZBSIYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O3S2/c1-24-19(29)13-5-3-4-12(10-25-20(30)15-6-7-17(23)32-15)18(13)27-21(31)22-26-14-8-9-28(2)11-16(14)33-22/h3-7H,8-11H2,1-2H3,(H,24,29)(H,25,30)(H,27,31).
What are the key properties of N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 504.04 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-6-(methylcarbamoyl)phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 25051116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).