N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide

C12H15N3O2S2 — CID 97417384

IUPACN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide
SMILESCO[C@@H](CNC(=O)c1snnc1C)c1ccc(C)s1
InChIInChI=1S/C12H15N3O2S2/c1-7-4-5-10(18-7)9(17-3)6-13-12(16)11-8(2)14-15-19-11/h4-5,9H,6H2,1-3H3,(H,13,16)/t9-/m0/s1
InChIKeyIHSWAQGSDXIBCZ-VIFPVBQESA-N
MW297.41 g/mol
LogP2.33
Rot. Bonds5

About N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide

N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 97417384) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide
PubChem CID97417384
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC NameN-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide
SMILESCO[C@@H](CNC(=O)c1snnc1C)c1ccc(C)s1
InChIInChI=1S/C12H15N3O2S2/c1-7-4-5-10(18-7)9(17-3)6-13-12(16)11-8(2)14-15-19-11/h4-5,9H,6H2,1-3H3,(H,13,16)/t9-/m0/s1
InChIKeyIHSWAQGSDXIBCZ-VIFPVBQESA-N
XLogP2.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide (CID 97417384) is N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide is CO[C@@H](CNC(=O)c1snnc1C)c1ccc(C)s1.
What is the InChIKey of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is IHSWAQGSDXIBCZ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-7-4-5-10(18-7)9(17-3)6-13-12(16)11-8(2)14-15-19-11/h4-5,9H,6H2,1-3H3,(H,13,16)/t9-/m0/s1.
What are the key properties of N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide?
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 297.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 97417384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).