N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

C10H14N2OS — CID 123178466

IUPACN,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCNC(=O)C1CCc2nc(C)sc2C1
InChIInChI=1S/C10H14N2OS/c1-6-12-8-4-3-7(10(13)11-2)5-9(8)14-6/h7H,3-5H2,1-2H3,(H,11,13)
InChIKeyQRGGFCXIVMETBE-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.30
Rot. Bonds1

About N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (PubChem CID 123178466) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
PubChem CID123178466
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC NameN,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCNC(=O)C1CCc2nc(C)sc2C1
InChIInChI=1S/C10H14N2OS/c1-6-12-8-4-3-7(10(13)11-2)5-9(8)14-6/h7H,3-5H2,1-2H3,(H,11,13)
InChIKeyQRGGFCXIVMETBE-UHFFFAOYSA-N
XLogP1.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (CID 123178466) is N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is CNC(=O)C1CCc2nc(C)sc2C1.
What is the InChIKey of N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The InChIKey is QRGGFCXIVMETBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-6-12-8-4-3-7(10(13)11-2)5-9(8)14-6/h7H,3-5H2,1-2H3,(H,11,13).
What are the key properties of N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide has a molecular weight of 210.30 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 123178466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).