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

C19H18ClN5O2S2 — CID 53325000

IUPACN-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)Nc3ccncc3CNC(=O)c3ccc(Cl)s3)sc2C1
InChIInChI=1S/C19H18ClN5O2S2/c1-25-7-5-13-15(10-25)29-19(24-13)18(27)23-12-4-6-21-8-11(12)9-22-17(26)14-2-3-16(20)28-14/h2-4,6,8H,5,7,9-10H2,1H3,(H,22,26)(H,21,23,27)
InChIKeyJJOVWNNPDXUVMZ-UHFFFAOYSA-N
MW447.97 g/mol
LogP3.42
Rot. Bonds5

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

N-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 53325000) 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]-4-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]-4-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID53325000
Molecular FormulaC19H18ClN5O2S2
Molecular Weight447.97 g/mol
Exact Mass447.06
IUPAC NameN-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCN1CCc2nc(C(=O)Nc3ccncc3CNC(=O)c3ccc(Cl)s3)sc2C1
InChIInChI=1S/C19H18ClN5O2S2/c1-25-7-5-13-15(10-25)29-19(24-13)18(27)23-12-4-6-21-8-11(12)9-22-17(26)14-2-3-16(20)28-14/h2-4,6,8H,5,7,9-10H2,1H3,(H,22,26)(H,21,23,27)
InChIKeyJJOVWNNPDXUVMZ-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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-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]-4-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 53325000) is N-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-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]-4-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]-4-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)Nc3ccncc3CNC(=O)c3ccc(Cl)s3)sc2C1.
What is the InChIKey of N-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is JJOVWNNPDXUVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2S2/c1-25-7-5-13-15(10-25)29-19(24-13)18(27)23-12-4-6-21-8-11(12)9-22-17(26)14-2-3-16(20)28-14/h2-4,6,8H,5,7,9-10H2,1H3,(H,22,26)(H,21,23,27).
What are the key properties of N-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-4-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]-4-pyridinyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 53325000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).