cis-(1S,2S)-N-[6-(2,4-dimethyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide

C18H16FN3OS — CID 138504831

IUPACcis-(1S,2S)-N-[6-(2,4-dimethyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1ccnc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1
InChIInChI=1S/C18H16FN3OS/c1-9-5-6-20-10(2)16(9)11-3-4-14-15(7-11)24-18(21-14)22-17(23)12-8-13(12)19/h3-7,12-13H,8H2,1-2H3,(H,21,22,23)/t12-,13+/m1/s1
InChIKeyGBZOMWZVTZAYLZ-OLZOCXBDSA-N
MW341.41 g/mol
LogP4.27
Rot. Bonds3

About cis-(1S,2S)-N-[6-(2,4-dimethyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[6-(2,4-dimethyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 138504831) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-(2,4-dimethyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[6-(2,4-dimethyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID138504831
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Namecis-(1S,2S)-N-[6-(2,4-dimethyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1ccnc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1
InChIInChI=1S/C18H16FN3OS/c1-9-5-6-20-10(2)16(9)11-3-4-14-15(7-11)24-18(21-14)22-17(23)12-8-13(12)19/h3-7,12-13H,8H2,1-2H3,(H,21,22,23)/t12-,13+/m1/s1
InChIKeyGBZOMWZVTZAYLZ-OLZOCXBDSA-N
XLogP4.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2S)-N-[6-(2,4-dimethyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-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 cis-(1S,2S)-N-[6-(2,4-dimethyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[6-(2,4-dimethyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 138504831) is cis-(1S,2S)-N-[6-(2,4-dimethyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[6-(2,4-dimethyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[6-(2,4-dimethyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide is Cc1ccnc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.
What is the InChIKey of cis-(1S,2S)-N-[6-(2,4-dimethyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is GBZOMWZVTZAYLZ-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-9-5-6-20-10(2)16(9)11-3-4-14-15(7-11)24-18(21-14)22-17(23)12-8-13(12)19/h3-7,12-13H,8H2,1-2H3,(H,21,22,23)/t12-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-(2,4-dimethyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[6-(2,4-dimethyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[6-(2,4-dimethyl-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 138504831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).