5-methylsulfinyl-N-propyl-1,3,4-thiadiazole-2-carboxamide

C7H11N3O2S2 — CID 54012921

IUPAC5-methylsulfinyl-N-propyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNC(=O)c1nnc(S(C)=O)s1
InChIInChI=1S/C7H11N3O2S2/c1-3-4-8-5(11)6-9-10-7(13-6)14(2)12/h3-4H2,1-2H3,(H,8,11)
InChIKeyKTQCTBBNXWTJDZ-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.42
Rot. Bonds4

About 5-methylsulfinyl-N-propyl-1,3,4-thiadiazole-2-carboxamide

5-methylsulfinyl-N-propyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 54012921) has the molecular formula C7H11N3O2S2 and a molecular weight of 233.32 g/mol. Its IUPAC name is 5-methylsulfinyl-N-propyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-methylsulfinyl-N-propyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID54012921
Molecular FormulaC7H11N3O2S2
Molecular Weight233.32 g/mol
Exact Mass233.03
IUPAC Name5-methylsulfinyl-N-propyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNC(=O)c1nnc(S(C)=O)s1
InChIInChI=1S/C7H11N3O2S2/c1-3-4-8-5(11)6-9-10-7(13-6)14(2)12/h3-4H2,1-2H3,(H,8,11)
InChIKeyKTQCTBBNXWTJDZ-UHFFFAOYSA-N
XLogP0.42
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfinyl-N-propyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-methylsulfinyl-N-propyl-1,3,4-thiadiazole-2-carboxamide (CID 54012921) is 5-methylsulfinyl-N-propyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-methylsulfinyl-N-propyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-methylsulfinyl-N-propyl-1,3,4-thiadiazole-2-carboxamide is CCCNC(=O)c1nnc(S(C)=O)s1.
What is the InChIKey of 5-methylsulfinyl-N-propyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is KTQCTBBNXWTJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S2/c1-3-4-8-5(11)6-9-10-7(13-6)14(2)12/h3-4H2,1-2H3,(H,8,11).
What are the key properties of 5-methylsulfinyl-N-propyl-1,3,4-thiadiazole-2-carboxamide?
5-methylsulfinyl-N-propyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 233.32 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfinyl-N-propyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 54012921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).