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

C14H22N6OS — CID 22196608

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide
SMILESCCc1nnc(NC(=O)CN(C)Cc2c(C)nn(C)c2C)s1
InChIInChI=1S/C14H22N6OS/c1-6-13-16-17-14(22-13)15-12(21)8-19(4)7-11-9(2)18-20(5)10(11)3/h6-8H2,1-5H3,(H,15,17,21)
InChIKeyADDMBIFFDWWJBA-UHFFFAOYSA-N
MW322.44 g/mol
LogP1.52
Rot. Bonds6

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide (PubChem CID 22196608) has the molecular formula C14H22N6OS and a molecular weight of 322.44 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide
PubChem CID22196608
Molecular FormulaC14H22N6OS
Molecular Weight322.44 g/mol
Exact Mass322.16
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide
SMILESCCc1nnc(NC(=O)CN(C)Cc2c(C)nn(C)c2C)s1
InChIInChI=1S/C14H22N6OS/c1-6-13-16-17-14(22-13)15-12(21)8-19(4)7-11-9(2)18-20(5)10(11)3/h6-8H2,1-5H3,(H,15,17,21)
InChIKeyADDMBIFFDWWJBA-UHFFFAOYSA-N
XLogP1.52
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethylphenyl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide
CID 22196576
2-[benzyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3072301
1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 46982167
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide
CID 22196535
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-methylacetamide
CID 60796591
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24649219
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 17452875
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62682565
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 692810
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787271
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 4628738

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide (CID 22196608) is N-(5-ethyl-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-ethyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide is CCc1nnc(NC(=O)CN(C)Cc2c(C)nn(C)c2C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide?
The InChIKey is ADDMBIFFDWWJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6OS/c1-6-13-16-17-14(22-13)15-12(21)8-19(4)7-11-9(2)18-20(5)10(11)3/h6-8H2,1-5H3,(H,15,17,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide has a molecular weight of 322.44 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 22196608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).