4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

C8H10N2OS — CID 13424805

IUPAC4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
SMILESNC(=O)C1CCCc2scnc21
InChIInChI=1S/C8H10N2OS/c9-8(11)5-2-1-3-6-7(5)10-4-12-6/h4-5H,1-3H2,(H2,9,11)
InChIKeyNZQXASHNMHSKCO-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.05
Rot. Bonds1

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

4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide (PubChem CID 13424805) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
PubChem CID13424805
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
SMILESNC(=O)C1CCCc2scnc21
InChIInChI=1S/C8H10N2OS/c9-8(11)5-2-1-3-6-7(5)10-4-12-6/h4-5H,1-3H2,(H2,9,11)
InChIKeyNZQXASHNMHSKCO-UHFFFAOYSA-N
XLogP1.05
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
The IUPAC name of 4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide (CID 13424805) is 4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide.
What is the SMILES notation for 4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
The canonical SMILES for 4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide is NC(=O)C1CCCc2scnc21.
What is the InChIKey of 4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
The InChIKey is NZQXASHNMHSKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c9-8(11)5-2-1-3-6-7(5)10-4-12-6/h4-5H,1-3H2,(H2,9,11).
What are the key properties of 4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide has a molecular weight of 182.25 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide is sourced from PubChem (CID 13424805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).