N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide

C12H14N2O2S — CID 60653832

IUPACN-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide
SMILESCCN(CCO)C(=O)c1ccc2ncsc2c1
InChIInChI=1S/C12H14N2O2S/c1-2-14(5-6-15)12(16)9-3-4-10-11(7-9)17-8-13-10/h3-4,7-8,15H,2,5-6H2,1H3
InChIKeyYTCPTYRBDWQYNE-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.75
Rot. Bonds4

About N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide

N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 60653832) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide
PubChem CID60653832
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide
SMILESCCN(CCO)C(=O)c1ccc2ncsc2c1
InChIInChI=1S/C12H14N2O2S/c1-2-14(5-6-15)12(16)9-3-4-10-11(7-9)17-8-13-10/h3-4,7-8,15H,2,5-6H2,1H3
InChIKeyYTCPTYRBDWQYNE-UHFFFAOYSA-N
XLogP1.75
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide (CID 60653832) is N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide is CCN(CCO)C(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is YTCPTYRBDWQYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-2-14(5-6-15)12(16)9-3-4-10-11(7-9)17-8-13-10/h3-4,7-8,15H,2,5-6H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 60653832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).