cis-(1S,2S)-2-fluoro-N-[6-(7-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide

C20H16FN3O2S — CID 138504676

About cis-(1S,2S)-2-fluoro-N-[6-(7-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide

cis-(1S,2S)-2-fluoro-N-[6-(7-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 138504676) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[6-(7-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,2S)-2-fluoro-N-[6-(7-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
• PubChem CID: 138504676
• Molecular Formula: C20H16FN3O2S
• Molecular Weight: 381.43 g/mol
• Exact Mass: 381.09
• IUPAC Name: cis-(1S,2S)-2-fluoro-N-[6-(7-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
• SMILES: Cc1c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)sc3c2)ccc2c1NC(=O)C2
• InChI: InChI=1S/C20H16FN3O2S/c1-9-12(4-2-11-7-17(25)23-18(9)11)10-3-5-15-16(6-10)27-20(22-15)24-19(26)13-8-14(13)21/h2-6,13-14H,7-8H2,1H3,(H,23,25)(H,22,24,26)/t13-,14+/m1/s1
• InChIKey: LJODWEWQDAPLGR-KGLIPLIRSA-N
• XLogP: 4.06
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.43
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-(7-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide?

The IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-(7-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide (CID 138504676) is cis-(1S,2S)-2-fluoro-N-[6-(7-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[6-(7-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[6-(7-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide is Cc1c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)sc3c2)ccc2c1NC(=O)C2.

What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[6-(7-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide?

The InChIKey is LJODWEWQDAPLGR-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-9-12(4-2-11-7-17(25)23-18(9)11)10-3-5-15-16(6-10)27-20(22-15)24-19(26)13-8-14(13)21/h2-6,13-14H,7-8H2,1H3,(H,23,25)(H,22,24,26)/t13-,14+/m1/s1.

What are the key properties of cis-(1S,2S)-2-fluoro-N-[6-(7-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide?

cis-(1S,2S)-2-fluoro-N-[6-(7-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-2-fluoro-N-[6-(7-methyl-2-oxo-1,3-dihydroindol-6-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 138504676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).