3-(1,3-benzothiazol-4-yloxy)-N-(6-methylpyrimidin-4-yl)cyclobutane-1-carboxamide

C17H16N4O2S — CID 134430557

IUPAC3-(1,3-benzothiazol-4-yloxy)-N-(6-methylpyrimidin-4-yl)cyclobutane-1-carboxamide
SMILESCc1cc(NC(=O)C2CC(Oc3cccc4scnc34)C2)ncn1
InChIInChI=1S/C17H16N4O2S/c1-10-5-15(19-8-18-10)21-17(22)11-6-12(7-11)23-13-3-2-4-14-16(13)20-9-24-14/h2-5,8-9,11-12H,6-7H2,1H3,(H,18,19,21,22)
InChIKeySTTPUZBDVZEFTQ-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.19
Rot. Bonds4

About 3-(1,3-benzothiazol-4-yloxy)-N-(6-methylpyrimidin-4-yl)cyclobutane-1-carboxamide

3-(1,3-benzothiazol-4-yloxy)-N-(6-methylpyrimidin-4-yl)cyclobutane-1-carboxamide (PubChem CID 134430557) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-4-yloxy)-N-(6-methylpyrimidin-4-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-4-yloxy)-N-(6-methylpyrimidin-4-yl)cyclobutane-1-carboxamide
PubChem CID134430557
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name3-(1,3-benzothiazol-4-yloxy)-N-(6-methylpyrimidin-4-yl)cyclobutane-1-carboxamide
SMILESCc1cc(NC(=O)C2CC(Oc3cccc4scnc34)C2)ncn1
InChIInChI=1S/C17H16N4O2S/c1-10-5-15(19-8-18-10)21-17(22)11-6-12(7-11)23-13-3-2-4-14-16(13)20-9-24-14/h2-5,8-9,11-12H,6-7H2,1H3,(H,18,19,21,22)
InChIKeySTTPUZBDVZEFTQ-UHFFFAOYSA-N
XLogP3.19
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.19
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-(6-methylpyrimidin-4-yl)cyclobutane-1-carboxamide?
The IUPAC name of 3-(1,3-benzothiazol-4-yloxy)-N-(6-methylpyrimidin-4-yl)cyclobutane-1-carboxamide (CID 134430557) is 3-(1,3-benzothiazol-4-yloxy)-N-(6-methylpyrimidin-4-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-(1,3-benzothiazol-4-yloxy)-N-(6-methylpyrimidin-4-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-(1,3-benzothiazol-4-yloxy)-N-(6-methylpyrimidin-4-yl)cyclobutane-1-carboxamide is Cc1cc(NC(=O)C2CC(Oc3cccc4scnc34)C2)ncn1.
What is the InChIKey of 3-(1,3-benzothiazol-4-yloxy)-N-(6-methylpyrimidin-4-yl)cyclobutane-1-carboxamide?
The InChIKey is STTPUZBDVZEFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10-5-15(19-8-18-10)21-17(22)11-6-12(7-11)23-13-3-2-4-14-16(13)20-9-24-14/h2-5,8-9,11-12H,6-7H2,1H3,(H,18,19,21,22).
What are the key properties of 3-(1,3-benzothiazol-4-yloxy)-N-(6-methylpyrimidin-4-yl)cyclobutane-1-carboxamide?
3-(1,3-benzothiazol-4-yloxy)-N-(6-methylpyrimidin-4-yl)cyclobutane-1-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 3.19, 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-(6-methylpyrimidin-4-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 134430557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).