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

C14H14N2OS — CID 110680621

IUPACN-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccccc1)C1CCc2ncsc2C1
InChIInChI=1S/C14H14N2OS/c17-14(16-11-4-2-1-3-5-11)10-6-7-12-13(8-10)18-9-15-12/h1-5,9-10H,6-8H2,(H,16,17)
InChIKeyBGHSGRJXIURCOE-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.89
Rot. Bonds2

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

N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (PubChem CID 110680621) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
PubChem CID110680621
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccccc1)C1CCc2ncsc2C1
InChIInChI=1S/C14H14N2OS/c17-14(16-11-4-2-1-3-5-11)10-6-7-12-13(8-10)18-9-15-12/h1-5,9-10H,6-8H2,(H,16,17)
InChIKeyBGHSGRJXIURCOE-UHFFFAOYSA-N
XLogP2.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (CID 110680621) is N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is O=C(Nc1ccccc1)C1CCc2ncsc2C1.
What is the InChIKey of N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The InChIKey is BGHSGRJXIURCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c17-14(16-11-4-2-1-3-5-11)10-6-7-12-13(8-10)18-9-15-12/h1-5,9-10H,6-8H2,(H,16,17).
What are the key properties of N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide has a molecular weight of 258.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 110680621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).