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

C17H16N2O2S2 — CID 71781718

IUPACN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCC(O)(c1cccs1)C1CC1)c1nc2ccccc2s1
InChIInChI=1S/C17H16N2O2S2/c20-15(16-19-12-4-1-2-5-13(12)23-16)18-10-17(21,11-7-8-11)14-6-3-9-22-14/h1-6,9,11,21H,7-8,10H2,(H,18,20)
InChIKeyIXBWKTBADRNGOH-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.39
Rot. Bonds5

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

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3-benzothiazole-2-carboxamide (PubChem CID 71781718) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3-benzothiazole-2-carboxamide
PubChem CID71781718
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCC(O)(c1cccs1)C1CC1)c1nc2ccccc2s1
InChIInChI=1S/C17H16N2O2S2/c20-15(16-19-12-4-1-2-5-13(12)23-16)18-10-17(21,11-7-8-11)14-6-3-9-22-14/h1-6,9,11,21H,7-8,10H2,(H,18,20)
InChIKeyIXBWKTBADRNGOH-UHFFFAOYSA-N
XLogP3.39
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3-benzothiazole-2-carboxamide (CID 71781718) is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3-benzothiazole-2-carboxamide is O=C(NCC(O)(c1cccs1)C1CC1)c1nc2ccccc2s1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is IXBWKTBADRNGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c20-15(16-19-12-4-1-2-5-13(12)23-16)18-10-17(21,11-7-8-11)14-6-3-9-22-14/h1-6,9,11,21H,7-8,10H2,(H,18,20).
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3-benzothiazole-2-carboxamide?
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 71781718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).