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

C19H18ClN5O2S2 — CID 53324999

IUPACN-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)Nc3ncccc3CNC(=O)c3ccc(Cl)s3)sc2C1
InChIInChI=1S/C19H18ClN5O2S2/c1-25-8-6-12-14(10-25)29-19(23-12)18(27)24-16-11(3-2-7-21-16)9-22-17(26)13-4-5-15(20)28-13/h2-5,7H,6,8-10H2,1H3,(H,22,26)(H,21,24,27)
InChIKeyFBCFKJYCNWOJKB-UHFFFAOYSA-N
MW447.97 g/mol
LogP3.42
Rot. Bonds5

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

N-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 53324999) has the molecular formula C19H18ClN5O2S2 and a molecular weight of 447.97 g/mol. Its IUPAC name is N-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID53324999
Molecular FormulaC19H18ClN5O2S2
Molecular Weight447.97 g/mol
Exact Mass447.06
IUPAC NameN-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)Nc3ncccc3CNC(=O)c3ccc(Cl)s3)sc2C1
InChIInChI=1S/C19H18ClN5O2S2/c1-25-8-6-12-14(10-25)29-19(23-12)18(27)24-16-11(3-2-7-21-16)9-22-17(26)13-4-5-15(20)28-13/h2-5,7H,6,8-10H2,1H3,(H,22,26)(H,21,24,27)
InChIKeyFBCFKJYCNWOJKB-UHFFFAOYSA-N
XLogP3.42
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide 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-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 53324999) is N-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)Nc3ncccc3CNC(=O)c3ccc(Cl)s3)sc2C1.
What is the InChIKey of N-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is FBCFKJYCNWOJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2S2/c1-25-8-6-12-14(10-25)29-19(23-12)18(27)24-16-11(3-2-7-21-16)9-22-17(26)13-4-5-15(20)28-13/h2-5,7H,6,8-10H2,1H3,(H,22,26)(H,21,24,27).
What are the key properties of N-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 447.97 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 53324999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).