N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

C17H15N3OS — CID 138504775

IUPACN-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
SMILESCc1ccncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1
InChIInChI=1S/C17H15N3OS/c1-10-6-7-18-9-13(10)12-4-5-14-15(8-12)22-17(19-14)20-16(21)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,19,20,21)
InChIKeyJHDSITICBSAFEJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.02
Rot. Bonds3

About N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (PubChem CID 138504775) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
PubChem CID138504775
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
SMILESCc1ccncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1
InChIInChI=1S/C17H15N3OS/c1-10-6-7-18-9-13(10)12-4-5-14-15(8-12)22-17(19-14)20-16(21)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,19,20,21)
InChIKeyJHDSITICBSAFEJ-UHFFFAOYSA-N
XLogP4.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (CID 138504775) is N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is Cc1ccncc1-c1ccc2nc(NC(=O)C3CC3)sc2c1.
What is the InChIKey of N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is JHDSITICBSAFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-10-6-7-18-9-13(10)12-4-5-14-15(8-12)22-17(19-14)20-16(21)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,19,20,21).
What are the key properties of N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 309.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138504775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).