N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide

C11H18N4O2S — CID 91651649

IUPACN-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide
SMILESCCN(CC)C(=O)CCNC(=O)c1snnc1C
InChIInChI=1S/C11H18N4O2S/c1-4-15(5-2)9(16)6-7-12-11(17)10-8(3)13-14-18-10/h4-7H2,1-3H3,(H,12,17)
InChIKeyMFWOISZBMHRGTK-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.83
Rot. Bonds6

About N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide

N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 91651649) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide
PubChem CID91651649
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide
SMILESCCN(CC)C(=O)CCNC(=O)c1snnc1C
InChIInChI=1S/C11H18N4O2S/c1-4-15(5-2)9(16)6-7-12-11(17)10-8(3)13-14-18-10/h4-7H2,1-3H3,(H,12,17)
InChIKeyMFWOISZBMHRGTK-UHFFFAOYSA-N
XLogP0.83
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide (CID 91651649) is N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide is CCN(CC)C(=O)CCNC(=O)c1snnc1C.
What is the InChIKey of N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is MFWOISZBMHRGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-4-15(5-2)9(16)6-7-12-11(17)10-8(3)13-14-18-10/h4-7H2,1-3H3,(H,12,17).
What are the key properties of N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide?
N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 91651649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).