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

C17H13F2N3OS — CID 138504774

IUPAC2,2-difluoro-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
SMILESCc1ccncc1-c1ccc2nc(NC(=O)C3CC3(F)F)sc2c1
InChIInChI=1S/C17H13F2N3OS/c1-9-4-5-20-8-11(9)10-2-3-13-14(6-10)24-16(21-13)22-15(23)12-7-17(12,18)19/h2-6,8,12H,7H2,1H3,(H,21,22,23)
InChIKeyUDGIEQXDGLYLDV-UHFFFAOYSA-N
MW345.37 g/mol
LogP4.26
Rot. Bonds3

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

2,2-difluoro-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 138504774) has the molecular formula C17H13F2N3OS and a molecular weight of 345.37 g/mol. Its IUPAC name is 2,2-difluoro-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
PubChem CID138504774
Molecular FormulaC17H13F2N3OS
Molecular Weight345.37 g/mol
Exact Mass345.07
IUPAC Name2,2-difluoro-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
SMILESCc1ccncc1-c1ccc2nc(NC(=O)C3CC3(F)F)sc2c1
InChIInChI=1S/C17H13F2N3OS/c1-9-4-5-20-8-11(9)10-2-3-13-14(6-10)24-16(21-13)22-15(23)12-7-17(12,18)19/h2-6,8,12H,7H2,1H3,(H,21,22,23)
InChIKeyUDGIEQXDGLYLDV-UHFFFAOYSA-N
XLogP4.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide (CID 138504774) is 2,2-difluoro-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide is Cc1ccncc1-c1ccc2nc(NC(=O)C3CC3(F)F)sc2c1.
What is the InChIKey of 2,2-difluoro-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is UDGIEQXDGLYLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3OS/c1-9-4-5-20-8-11(9)10-2-3-13-14(6-10)24-16(21-13)22-15(23)12-7-17(12,18)19/h2-6,8,12H,7H2,1H3,(H,21,22,23).
What are the key properties of 2,2-difluoro-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide?
2,2-difluoro-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 138504774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).