N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide

C13H20N6OS — CID 22196607

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide
SMILESCc1nnc(NC(=O)CN(C)Cc2c(C)nn(C)c2C)s1
InChIInChI=1S/C13H20N6OS/c1-8-11(9(2)19(5)17-8)6-18(4)7-12(20)14-13-16-15-10(3)21-13/h6-7H2,1-5H3,(H,14,16,20)
InChIKeyMVWOTMBLPPVMLG-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.27
Rot. Bonds5

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide (PubChem CID 22196607) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide
PubChem CID22196607
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide
SMILESCc1nnc(NC(=O)CN(C)Cc2c(C)nn(C)c2C)s1
InChIInChI=1S/C13H20N6OS/c1-8-11(9(2)19(5)17-8)6-18(4)7-12(20)14-13-16-15-10(3)21-13/h6-7H2,1-5H3,(H,14,16,20)
InChIKeyMVWOTMBLPPVMLG-UHFFFAOYSA-N
XLogP1.27
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide (CID 22196607) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide is Cc1nnc(NC(=O)CN(C)Cc2c(C)nn(C)c2C)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide?
The InChIKey is MVWOTMBLPPVMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-8-11(9(2)19(5)17-8)6-18(4)7-12(20)14-13-16-15-10(3)21-13/h6-7H2,1-5H3,(H,14,16,20).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide has a molecular weight of 308.41 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 22196607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).