N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-methylthiadiazole-5-carboxamide

C15H15N3O2S2 — CID 86263939

IUPACN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(C)(O)c1cc2ccccc2s1
InChIInChI=1S/C15H15N3O2S2/c1-9-13(22-18-17-9)14(19)16-8-15(2,20)12-7-10-5-3-4-6-11(10)21-12/h3-7,20H,8H2,1-2H3,(H,16,19)
InChIKeyGISHWCXLDCQVQA-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.70
Rot. Bonds4

About N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-methylthiadiazole-5-carboxamide

N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 86263939) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-methylthiadiazole-5-carboxamide
PubChem CID86263939
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(C)(O)c1cc2ccccc2s1
InChIInChI=1S/C15H15N3O2S2/c1-9-13(22-18-17-9)14(19)16-8-15(2,20)12-7-10-5-3-4-6-11(10)21-12/h3-7,20H,8H2,1-2H3,(H,16,19)
InChIKeyGISHWCXLDCQVQA-UHFFFAOYSA-N
XLogP2.70
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-methylthiadiazole-5-carboxamide (CID 86263939) is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC(C)(O)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is GISHWCXLDCQVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-9-13(22-18-17-9)14(19)16-8-15(2,20)12-7-10-5-3-4-6-11(10)21-12/h3-7,20H,8H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-methylthiadiazole-5-carboxamide?
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 86263939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).