trans-(1R,2R)-N-(1,2,3-benzothiadiazol-6-yl)-2-methylcyclopropane-1-carboxamide

C11H11N3OS — CID 163723632

IUPACtrans-(1R,2R)-N-(1,2,3-benzothiadiazol-6-yl)-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1ccc2nnsc2c1
InChIInChI=1S/C11H11N3OS/c1-6-4-8(6)11(15)12-7-2-3-9-10(5-7)16-14-13-9/h2-3,5-6,8H,4H2,1H3,(H,12,15)/t6-,8-/m1/s1
InChIKeyKTTAZUGDUMGWKD-HTRCEHHLSA-N
MW233.30 g/mol
LogP2.29
Rot. Bonds2

About trans-(1R,2R)-N-(1,2,3-benzothiadiazol-6-yl)-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-(1,2,3-benzothiadiazol-6-yl)-2-methylcyclopropane-1-carboxamide (PubChem CID 163723632) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is trans-(1R,2R)-N-(1,2,3-benzothiadiazol-6-yl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(1,2,3-benzothiadiazol-6-yl)-2-methylcyclopropane-1-carboxamide
PubChem CID163723632
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Nametrans-(1R,2R)-N-(1,2,3-benzothiadiazol-6-yl)-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1ccc2nnsc2c1
InChIInChI=1S/C11H11N3OS/c1-6-4-8(6)11(15)12-7-2-3-9-10(5-7)16-14-13-9/h2-3,5-6,8H,4H2,1H3,(H,12,15)/t6-,8-/m1/s1
InChIKeyKTTAZUGDUMGWKD-HTRCEHHLSA-N
XLogP2.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 7742031
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 114996370
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
cis-(1R,2S)-N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-methylcyclopropane-1-carboxamide
CID 39693129
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide
CID 42951853
trans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide
CID 51532166
(E)-3-[2-fluoro-5-[(2-methylcyclopropanecarbonyl)amino]phenyl]prop-2-enoic acid
CID 104781413
N-[4-(2-chloroethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114299297
cis-(1S,2R)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 8919754

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(1,2,3-benzothiadiazol-6-yl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(1,2,3-benzothiadiazol-6-yl)-2-methylcyclopropane-1-carboxamide (CID 163723632) is trans-(1R,2R)-N-(1,2,3-benzothiadiazol-6-yl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(1,2,3-benzothiadiazol-6-yl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(1,2,3-benzothiadiazol-6-yl)-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)Nc1ccc2nnsc2c1.
What is the InChIKey of trans-(1R,2R)-N-(1,2,3-benzothiadiazol-6-yl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is KTTAZUGDUMGWKD-HTRCEHHLSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-6-4-8(6)11(15)12-7-2-3-9-10(5-7)16-14-13-9/h2-3,5-6,8H,4H2,1H3,(H,12,15)/t6-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(1,2,3-benzothiadiazol-6-yl)-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-(1,2,3-benzothiadiazol-6-yl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(1,2,3-benzothiadiazol-6-yl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 163723632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).