N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide

C12H16N2OS — CID 3566085

IUPACN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESCC1CCc2nc(NC(=O)C3CC3)sc2C1
InChIInChI=1S/C12H16N2OS/c1-7-2-5-9-10(6-7)16-12(13-9)14-11(15)8-3-4-8/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyFSKSWBHISHRICV-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.62
Rot. Bonds2

About N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (PubChem CID 3566085) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
PubChem CID3566085
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESCC1CCc2nc(NC(=O)C3CC3)sc2C1
InChIInChI=1S/C12H16N2OS/c1-7-2-5-9-10(6-7)16-12(13-9)14-11(15)8-3-4-8/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyFSKSWBHISHRICV-UHFFFAOYSA-N
XLogP2.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (CID 3566085) is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is CC1CCc2nc(NC(=O)C3CC3)sc2C1.
What is the InChIKey of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is FSKSWBHISHRICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-7-2-5-9-10(6-7)16-12(13-9)14-11(15)8-3-4-8/h7-8H,2-6H2,1H3,(H,13,14,15).
What are the key properties of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 236.34 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 3566085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).