3-(1,3-benzothiazol-4-yloxy)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)azetidine-1-carboxamide

C18H19N5O2S — CID 134430559

IUPAC3-(1,3-benzothiazol-4-yloxy)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)azetidine-1-carboxamide
SMILESCn1nc(C2CC2)cc1NC(=O)N1CC(Oc2cccc3scnc23)C1
InChIInChI=1S/C18H19N5O2S/c1-22-16(7-13(21-22)11-5-6-11)20-18(24)23-8-12(9-23)25-14-3-2-4-15-17(14)19-10-26-15/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,20,24)
InChIKeyFOECVHZSYDNBLG-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.20
Rot. Bonds4

About 3-(1,3-benzothiazol-4-yloxy)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)azetidine-1-carboxamide

3-(1,3-benzothiazol-4-yloxy)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)azetidine-1-carboxamide (PubChem CID 134430559) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-4-yloxy)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-4-yloxy)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)azetidine-1-carboxamide
PubChem CID134430559
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name3-(1,3-benzothiazol-4-yloxy)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)azetidine-1-carboxamide
SMILESCn1nc(C2CC2)cc1NC(=O)N1CC(Oc2cccc3scnc23)C1
InChIInChI=1S/C18H19N5O2S/c1-22-16(7-13(21-22)11-5-6-11)20-18(24)23-8-12(9-23)25-14-3-2-4-15-17(14)19-10-26-15/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,20,24)
InChIKeyFOECVHZSYDNBLG-UHFFFAOYSA-N
XLogP3.20
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-4-yloxy)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)azetidine-1-carboxamide?
The IUPAC name of 3-(1,3-benzothiazol-4-yloxy)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)azetidine-1-carboxamide (CID 134430559) is 3-(1,3-benzothiazol-4-yloxy)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(1,3-benzothiazol-4-yloxy)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-(1,3-benzothiazol-4-yloxy)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)azetidine-1-carboxamide is Cn1nc(C2CC2)cc1NC(=O)N1CC(Oc2cccc3scnc23)C1.
What is the InChIKey of 3-(1,3-benzothiazol-4-yloxy)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)azetidine-1-carboxamide?
The InChIKey is FOECVHZSYDNBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-22-16(7-13(21-22)11-5-6-11)20-18(24)23-8-12(9-23)25-14-3-2-4-15-17(14)19-10-26-15/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,20,24).
What are the key properties of 3-(1,3-benzothiazol-4-yloxy)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)azetidine-1-carboxamide?
3-(1,3-benzothiazol-4-yloxy)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)azetidine-1-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-4-yloxy)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)azetidine-1-carboxamide is sourced from PubChem (CID 134430559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).