6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide

C19H13ClN4OS — CID 7087663

IUPAC6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide
SMILESCc1cc(-c2nc3cccnc3s2)ccc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C19H13ClN4OS/c1-11-9-12(18-24-15-3-2-8-21-19(15)26-18)4-6-14(11)23-17(25)13-5-7-16(20)22-10-13/h2-10H,1H3,(H,23,25)
InChIKeyOMMHEZGLRDVPDB-UHFFFAOYSA-N
MW380.86 g/mol
LogP4.97
Rot. Bonds3

About 6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide

6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 7087663) has the molecular formula C19H13ClN4OS and a molecular weight of 380.86 g/mol. Its IUPAC name is 6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID7087663
Molecular FormulaC19H13ClN4OS
Molecular Weight380.86 g/mol
Exact Mass380.05
IUPAC Name6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide
SMILESCc1cc(-c2nc3cccnc3s2)ccc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C19H13ClN4OS/c1-11-9-12(18-24-15-3-2-8-21-19(15)26-18)4-6-14(11)23-17(25)13-5-7-16(20)22-10-13/h2-10H,1H3,(H,23,25)
InChIKeyOMMHEZGLRDVPDB-UHFFFAOYSA-N
XLogP4.97
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.86
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141366
3,5-dimethoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141342
3,5-dichloro-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024743
ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate
CID 121024653
N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1H-indole-2-carboxamide
CID 121024614
2-ethyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]butanamide
CID 7087656
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121024802
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024811
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 121024749
4-acetyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16800845
2-(3-bromophenyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 40998801
N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-phenoxypropanamide
CID 121024497

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide (CID 7087663) is 6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide is Cc1cc(-c2nc3cccnc3s2)ccc1NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is OMMHEZGLRDVPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4OS/c1-11-9-12(18-24-15-3-2-8-21-19(15)26-18)4-6-14(11)23-17(25)13-5-7-16(20)22-10-13/h2-10H,1H3,(H,23,25).
What are the key properties of 6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide?
6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 380.86 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 7087663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).