N-(2-chloro-3-pyridinyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

C17H15ClN4O2S — CID 90604351

IUPACN-(2-chloro-3-pyridinyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCOc1ccc2nc(N3CC(C(=O)Nc4cccnc4Cl)C3)sc2c1
InChIInChI=1S/C17H15ClN4O2S/c1-24-11-4-5-12-14(7-11)25-17(21-12)22-8-10(9-22)16(23)20-13-3-2-6-19-15(13)18/h2-7,10H,8-9H2,1H3,(H,20,23)
InChIKeyVJNVBUWYMMPQHA-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.43
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide

N-(2-chloro-3-pyridinyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (PubChem CID 90604351) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
PubChem CID90604351
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC NameN-(2-chloro-3-pyridinyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
SMILESCOc1ccc2nc(N3CC(C(=O)Nc4cccnc4Cl)C3)sc2c1
InChIInChI=1S/C17H15ClN4O2S/c1-24-11-4-5-12-14(7-11)25-17(21-12)22-8-10(9-22)16(23)20-13-3-2-6-19-15(13)18/h2-7,10H,8-9H2,1H3,(H,20,23)
InChIKeyVJNVBUWYMMPQHA-UHFFFAOYSA-N
XLogP3.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.43
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

1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 90604239
N-(2,5-dimethylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604262
N-(2,6-dimethylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604264
N-(4-ethoxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604241
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-methylphenyl)azetidine-3-carboxamide
CID 121128707
N-(2-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611504
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(4-methoxyphenyl)methyl]azetidine-3-carboxamide
CID 90604201
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(5-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128797
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 121128467
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604270
methyl 2-[[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate
CID 90611521
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 90604215

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide (CID 90604351) is N-(2-chloro-3-pyridinyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is COc1ccc2nc(N3CC(C(=O)Nc4cccnc4Cl)C3)sc2c1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is VJNVBUWYMMPQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c1-24-11-4-5-12-14(7-11)25-17(21-12)22-8-10(9-22)16(23)20-13-3-2-6-19-15(13)18/h2-7,10H,8-9H2,1H3,(H,20,23).
What are the key properties of N-(2-chloro-3-pyridinyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide?
N-(2-chloro-3-pyridinyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 374.85 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 90604351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).