(1R)-N-(7-fluoro-1,2-benzothiazol-6-yl)-2-phenylcyclopropane-1-carboxamide

C17H13FN2OS — CID 139505501

IUPAC(1R)-N-(7-fluoro-1,2-benzothiazol-6-yl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2cnsc2c1F)[C@@H]1CC1c1ccccc1
InChIInChI=1S/C17H13FN2OS/c18-15-14(7-6-11-9-19-22-16(11)15)20-17(21)13-8-12(13)10-4-2-1-3-5-10/h1-7,9,12-13H,8H2,(H,20,21)/t12?,13-/m1/s1
InChIKeyZAKLPPMIXCUNPW-ZGTCLIOFSA-N
MW312.37 g/mol
LogP4.18
Rot. Bonds3

About (1R)-N-(7-fluoro-1,2-benzothiazol-6-yl)-2-phenylcyclopropane-1-carboxamide

(1R)-N-(7-fluoro-1,2-benzothiazol-6-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 139505501) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is (1R)-N-(7-fluoro-1,2-benzothiazol-6-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(7-fluoro-1,2-benzothiazol-6-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID139505501
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC Name(1R)-N-(7-fluoro-1,2-benzothiazol-6-yl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2cnsc2c1F)[C@@H]1CC1c1ccccc1
InChIInChI=1S/C17H13FN2OS/c18-15-14(7-6-11-9-19-22-16(11)15)20-17(21)13-8-12(13)10-4-2-1-3-5-10/h1-7,9,12-13H,8H2,(H,20,21)/t12?,13-/m1/s1
InChIKeyZAKLPPMIXCUNPW-ZGTCLIOFSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-(7-fluoro-1,2-benzothiazol-6-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-(7-fluoro-1,2-benzothiazol-6-yl)-2-phenylcyclopropane-1-carboxamide (CID 139505501) is (1R)-N-(7-fluoro-1,2-benzothiazol-6-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-(7-fluoro-1,2-benzothiazol-6-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-(7-fluoro-1,2-benzothiazol-6-yl)-2-phenylcyclopropane-1-carboxamide is O=C(Nc1ccc2cnsc2c1F)[C@@H]1CC1c1ccccc1.
What is the InChIKey of (1R)-N-(7-fluoro-1,2-benzothiazol-6-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is ZAKLPPMIXCUNPW-ZGTCLIOFSA-N. The full InChI is InChI=1S/C17H13FN2OS/c18-15-14(7-6-11-9-19-22-16(11)15)20-17(21)13-8-12(13)10-4-2-1-3-5-10/h1-7,9,12-13H,8H2,(H,20,21)/t12?,13-/m1/s1.
What are the key properties of (1R)-N-(7-fluoro-1,2-benzothiazol-6-yl)-2-phenylcyclopropane-1-carboxamide?
(1R)-N-(7-fluoro-1,2-benzothiazol-6-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(7-fluoro-1,2-benzothiazol-6-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 139505501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).