N-(3-hydroxy-3-thiophen-3-ylpropyl)-1,3-benzothiazole-2-carboxamide

C15H14N2O2S2 — CID 86264099

IUPACN-(3-hydroxy-3-thiophen-3-ylpropyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCCC(O)c1ccsc1)c1nc2ccccc2s1
InChIInChI=1S/C15H14N2O2S2/c18-12(10-6-8-20-9-10)5-7-16-14(19)15-17-11-3-1-2-4-13(11)21-15/h1-4,6,8-9,12,18H,5,7H2,(H,16,19)
InChIKeyYWWRLINLMMQGGR-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.21
Rot. Bonds5

About N-(3-hydroxy-3-thiophen-3-ylpropyl)-1,3-benzothiazole-2-carboxamide

N-(3-hydroxy-3-thiophen-3-ylpropyl)-1,3-benzothiazole-2-carboxamide (PubChem CID 86264099) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-3-ylpropyl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-1,3-benzothiazole-2-carboxamide
PubChem CID86264099
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCCC(O)c1ccsc1)c1nc2ccccc2s1
InChIInChI=1S/C15H14N2O2S2/c18-12(10-6-8-20-9-10)5-7-16-14(19)15-17-11-3-1-2-4-13(11)21-15/h1-4,6,8-9,12,18H,5,7H2,(H,16,19)
InChIKeyYWWRLINLMMQGGR-UHFFFAOYSA-N
XLogP3.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-1,3-benzothiazole-2-carboxamide (CID 86264099) is N-(3-hydroxy-3-thiophen-3-ylpropyl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-3-ylpropyl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-3-ylpropyl)-1,3-benzothiazole-2-carboxamide is O=C(NCCC(O)c1ccsc1)c1nc2ccccc2s1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-3-ylpropyl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is YWWRLINLMMQGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c18-12(10-6-8-20-9-10)5-7-16-14(19)15-17-11-3-1-2-4-13(11)21-15/h1-4,6,8-9,12,18H,5,7H2,(H,16,19).
What are the key properties of N-(3-hydroxy-3-thiophen-3-ylpropyl)-1,3-benzothiazole-2-carboxamide?
N-(3-hydroxy-3-thiophen-3-ylpropyl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-3-ylpropyl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 86264099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).