N-[5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

C13H21N3OS2 — CID 123243898

IUPACN-[5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESC=C(CC(C)CC(C)c1nnc(NC(C)=O)s1)SC
InChIInChI=1S/C13H21N3OS2/c1-8(7-10(3)18-5)6-9(2)12-15-16-13(19-12)14-11(4)17/h8-9H,3,6-7H2,1-2,4-5H3,(H,14,16,17)
InChIKeyUTLWHNBOIDLYEI-UHFFFAOYSA-N
MW299.47 g/mol
LogP3.89
Rot. Bonds7

About N-[5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

N-[5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 123243898) has the molecular formula C13H21N3OS2 and a molecular weight of 299.47 g/mol. Its IUPAC name is N-[5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID123243898
Molecular FormulaC13H21N3OS2
Molecular Weight299.47 g/mol
Exact Mass299.11
IUPAC NameN-[5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESC=C(CC(C)CC(C)c1nnc(NC(C)=O)s1)SC
InChIInChI=1S/C13H21N3OS2/c1-8(7-10(3)18-5)6-9(2)12-15-16-13(19-12)14-11(4)17/h8-9H,3,6-7H2,1-2,4-5H3,(H,14,16,17)
InChIKeyUTLWHNBOIDLYEI-UHFFFAOYSA-N
XLogP3.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (CID 123243898) is N-[5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is C=C(CC(C)CC(C)c1nnc(NC(C)=O)s1)SC.
What is the InChIKey of N-[5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is UTLWHNBOIDLYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS2/c1-8(7-10(3)18-5)6-9(2)12-15-16-13(19-12)14-11(4)17/h8-9H,3,6-7H2,1-2,4-5H3,(H,14,16,17).
What are the key properties of N-[5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 299.47 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 123243898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).