dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium

C7H13N4OS+ — CID 6965716

IUPACdimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium
SMILESCc1nnc(NC(=O)C[NH+](C)C)s1
InChIInChI=1S/C7H12N4OS/c1-5-9-10-7(13-5)8-6(12)4-11(2)3/h4H2,1-3H3,(H,8,10,12)/p+1
InChIKeyWFMQQSPXESEKCR-UHFFFAOYSA-O
MW201.28 g/mol
LogP-1.07
Rot. Bonds3

About dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium

dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium (PubChem CID 6965716) has the molecular formula C7H13N4OS+ and a molecular weight of 201.28 g/mol. Its IUPAC name is dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium
PubChem CID6965716
Molecular FormulaC7H13N4OS+
Molecular Weight201.28 g/mol
Exact Mass201.08
IUPAC Namedimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium
SMILESCc1nnc(NC(=O)C[NH+](C)C)s1
InChIInChI=1S/C7H12N4OS/c1-5-9-10-7(13-5)8-6(12)4-11(2)3/h4H2,1-3H3,(H,8,10,12)/p+1
InChIKeyWFMQQSPXESEKCR-UHFFFAOYSA-O
XLogP-1.07
TPSA59.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
CID 162747394
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 5149159
N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
CID 5078577
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 16574832
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 115624585
1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 21417198
2-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 808377
2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6989665
2-(3,4-dimethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18077203
4-amino-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 103156755
2-[[(2R)-butan-2-yl]-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 95321408
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyrazol-1-ylacetamide
CID 39723877

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium?
The IUPAC name of dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium (CID 6965716) is dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium?
The canonical SMILES for dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium is Cc1nnc(NC(=O)C[NH+](C)C)s1.
What is the InChIKey of dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium?
The InChIKey is WFMQQSPXESEKCR-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12N4OS/c1-5-9-10-7(13-5)8-6(12)4-11(2)3/h4H2,1-3H3,(H,8,10,12)/p+1.
What are the key properties of dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium?
dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium has a molecular weight of 201.28 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 6965716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).