N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide

C14H15ClN4O2S — CID 122180514

IUPACN-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCOc1cc(N2CCc3nc(NC(C)=O)sc3C2)cnc1Cl
InChIInChI=1S/C14H15ClN4O2S/c1-8(20)17-14-18-10-3-4-19(7-12(10)22-14)9-5-11(21-2)13(15)16-6-9/h5-6H,3-4,7H2,1-2H3,(H,17,18,20)
InChIKeyANJGGDQTTMJUNE-UHFFFAOYSA-N
MW338.82 g/mol
LogP2.72
Rot. Bonds3

About N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide

N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (PubChem CID 122180514) has the molecular formula C14H15ClN4O2S and a molecular weight of 338.82 g/mol. Its IUPAC name is N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
PubChem CID122180514
Molecular FormulaC14H15ClN4O2S
Molecular Weight338.82 g/mol
Exact Mass338.06
IUPAC NameN-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCOc1cc(N2CCc3nc(NC(C)=O)sc3C2)cnc1Cl
InChIInChI=1S/C14H15ClN4O2S/c1-8(20)17-14-18-10-3-4-19(7-12(10)22-14)9-5-11(21-2)13(15)16-6-9/h5-6H,3-4,7H2,1-2H3,(H,17,18,20)
InChIKeyANJGGDQTTMJUNE-UHFFFAOYSA-N
XLogP2.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(5-Methoxypyridin-3-Yl)-4,5,6,7-Tetrahydro[1,3]thiazolo[5,4-C]pyridin-2-Yl]acetamide
CID 46872177
N-[5-(6-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 46872298
1-(5-(5-Methoxy-6-chloro-3-pyridyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-yl)-3-(2-(1-(2,2-difluoroethyl)-1H-imidazole-4-yl)ethyl)urea
CID 46872415
1-ethyl-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 46873664
1-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(2-propoxyethyl)urea
CID 46873665
N-[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 46873667
1-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[2-(1-propan-2-ylimidazol-4-yl)ethyl]urea
CID 122180515
1-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[2-(1-propylimidazol-4-yl)ethyl]urea
CID 122180516
1-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[2-[1-(2-methylpropyl)imidazol-4-yl]ethyl]urea
CID 122180517
1-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 122180518
1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 122180519
1-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethyl]urea
CID 122180521

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The IUPAC name of N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (CID 122180514) is N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The canonical SMILES for N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is COc1cc(N2CCc3nc(NC(C)=O)sc3C2)cnc1Cl.
What is the InChIKey of N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The InChIKey is ANJGGDQTTMJUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2S/c1-8(20)17-14-18-10-3-4-19(7-12(10)22-14)9-5-11(21-2)13(15)16-6-9/h5-6H,3-4,7H2,1-2H3,(H,17,18,20).
What are the key properties of N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide has a molecular weight of 338.82 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 122180514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).