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

C18H17N3OS — CID 138504680

IUPACN-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclobutanecarboxamide
SMILESCc1ccncc1-c1ccc2nc(NC(=O)C3CCC3)sc2c1
InChIInChI=1S/C18H17N3OS/c1-11-7-8-19-10-14(11)13-5-6-15-16(9-13)23-18(20-15)21-17(22)12-3-2-4-12/h5-10,12H,2-4H2,1H3,(H,20,21,22)
InChIKeyFPDSGVRAVXMPDR-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.41
Rot. Bonds3

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

N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclobutanecarboxamide (PubChem CID 138504680) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclobutanecarboxamide
PubChem CID138504680
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclobutanecarboxamide
SMILESCc1ccncc1-c1ccc2nc(NC(=O)C3CCC3)sc2c1
InChIInChI=1S/C18H17N3OS/c1-11-7-8-19-10-14(11)13-5-6-15-16(9-13)23-18(20-15)21-17(22)12-3-2-4-12/h5-10,12H,2-4H2,1H3,(H,20,21,22)
InChIKeyFPDSGVRAVXMPDR-UHFFFAOYSA-N
XLogP4.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.41
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]cyclobutanecarboxamide?
The IUPAC name of N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclobutanecarboxamide (CID 138504680) is N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclobutanecarboxamide is Cc1ccncc1-c1ccc2nc(NC(=O)C3CCC3)sc2c1.
What is the InChIKey of N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclobutanecarboxamide?
The InChIKey is FPDSGVRAVXMPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-11-7-8-19-10-14(11)13-5-6-15-16(9-13)23-18(20-15)21-17(22)12-3-2-4-12/h5-10,12H,2-4H2,1H3,(H,20,21,22).
What are the key properties of N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclobutanecarboxamide?
N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclobutanecarboxamide has a molecular weight of 323.42 g/mol, XLogP of 4.41, 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]cyclobutanecarboxamide is sourced from PubChem (CID 138504680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).