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

C20H20ClN5O2S — CID 53317106

IUPACN-[2-[[(4-chloro-1H-pyrrole-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)c[nH]3)sc2C1
InChIInChI=1S/C20H20ClN5O2S/c1-26-7-6-15-17(11-26)29-20(25-15)19(28)24-14-5-3-2-4-12(14)9-23-18(27)16-8-13(21)10-22-16/h2-5,8,10,22H,6-7,9,11H2,1H3,(H,23,27)(H,24,28)
InChIKeyYLJJYVNXARFFLX-UHFFFAOYSA-N
MW429.93 g/mol
LogP3.29
Rot. Bonds5

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

N-[2-[[(4-chloro-1H-pyrrole-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 53317106) has the molecular formula C20H20ClN5O2S and a molecular weight of 429.93 g/mol. Its IUPAC name is N-[2-[[(4-chloro-1H-pyrrole-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-chloro-1H-pyrrole-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID53317106
Molecular FormulaC20H20ClN5O2S
Molecular Weight429.93 g/mol
Exact Mass429.10
IUPAC NameN-[2-[[(4-chloro-1H-pyrrole-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)c[nH]3)sc2C1
InChIInChI=1S/C20H20ClN5O2S/c1-26-7-6-15-17(11-26)29-20(25-15)19(28)24-14-5-3-2-4-12(14)9-23-18(27)16-8-13(21)10-22-16/h2-5,8,10,22H,6-7,9,11H2,1H3,(H,23,27)(H,24,28)
InChIKeyYLJJYVNXARFFLX-UHFFFAOYSA-N
XLogP3.29
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[[(4-chloro-1H-pyrrole-2-carbonyl)amino]methyl]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-[[(4-chloro-1H-pyrrole-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-chloro-1H-pyrrole-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 53317106) is N-[2-[[(4-chloro-1H-pyrrole-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-chloro-1H-pyrrole-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-chloro-1H-pyrrole-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)c[nH]3)sc2C1.
What is the InChIKey of N-[2-[[(4-chloro-1H-pyrrole-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is YLJJYVNXARFFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2S/c1-26-7-6-15-17(11-26)29-20(25-15)19(28)24-14-5-3-2-4-12(14)9-23-18(27)16-8-13(21)10-22-16/h2-5,8,10,22H,6-7,9,11H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-[[(4-chloro-1H-pyrrole-2-carbonyl)amino]methyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[2-[[(4-chloro-1H-pyrrole-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 429.93 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-chloro-1H-pyrrole-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 53317106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).