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

C12H20N2O2S — CID 145337903

IUPACethane;4-hydroxy-N,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
SMILESCC.CNC(=O)c1nc2c(s1)CCC(C)C2O
InChIInChI=1S/C10H14N2O2S.C2H6/c1-5-3-4-6-7(8(5)13)12-10(15-6)9(14)11-2;1-2/h5,8,13H,3-4H2,1-2H3,(H,11,14);1-2H3
InChIKeyYVACNIINNKEQFB-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.14
Rot. Bonds1

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

ethane;4-hydroxy-N,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide (PubChem CID 145337903) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is ethane;4-hydroxy-N,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound Nameethane;4-hydroxy-N,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
PubChem CID145337903
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Nameethane;4-hydroxy-N,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
SMILESCC.CNC(=O)c1nc2c(s1)CCC(C)C2O
InChIInChI=1S/C10H14N2O2S.C2H6/c1-5-3-4-6-7(8(5)13)12-10(15-6)9(14)11-2;1-2/h5,8,13H,3-4H2,1-2H3,(H,11,14);1-2H3
InChIKeyYVACNIINNKEQFB-UHFFFAOYSA-N
XLogP2.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-hydroxy-N,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
The IUPAC name of ethane;4-hydroxy-N,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide (CID 145337903) is ethane;4-hydroxy-N,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for ethane;4-hydroxy-N,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for ethane;4-hydroxy-N,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide is CC.CNC(=O)c1nc2c(s1)CCC(C)C2O.
What is the InChIKey of ethane;4-hydroxy-N,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
The InChIKey is YVACNIINNKEQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S.C2H6/c1-5-3-4-6-7(8(5)13)12-10(15-6)9(14)11-2;1-2/h5,8,13H,3-4H2,1-2H3,(H,11,14);1-2H3.
What are the key properties of ethane;4-hydroxy-N,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
ethane;4-hydroxy-N,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydroxy-N,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 145337903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).