5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide

C4H6N4OS — CID 58091502

IUPAC5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCNC(=O)c1nnc(N)s1
InChIInChI=1S/C4H6N4OS/c1-6-2(9)3-7-8-4(5)10-3/h1H3,(H2,5,8)(H,6,9)
InChIKeyMWCLLNXNIDTZAY-UHFFFAOYSA-N
MW158.19 g/mol
LogP-0.52
Rot. Bonds1

About 5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide

5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 58091502) has the molecular formula C4H6N4OS and a molecular weight of 158.19 g/mol. Its IUPAC name is 5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID58091502
Molecular FormulaC4H6N4OS
Molecular Weight158.19 g/mol
Exact Mass158.03
IUPAC Name5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCNC(=O)c1nnc(N)s1
InChIInChI=1S/C4H6N4OS/c1-6-2(9)3-7-8-4(5)10-3/h1H3,(H2,5,8)(H,6,9)
InChIKeyMWCLLNXNIDTZAY-UHFFFAOYSA-N
XLogP-0.52
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615780
5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide
CID 106280130
5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide
CID 80616925
N-methyl-5-methylsulfonyl-1,3,4-thiadiazole-2-carboxamide
CID 54080537
5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide
CID 104765544
5-amino-N-(4-bromophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616050
5-amino-N-(1-cyclohexylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617219
5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 107578608
5-amino-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 114117633
5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619126
5-amino-N-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618601

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide (CID 58091502) is 5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide is CNC(=O)c1nnc(N)s1.
What is the InChIKey of 5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is MWCLLNXNIDTZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4OS/c1-6-2(9)3-7-8-4(5)10-3/h1H3,(H2,5,8)(H,6,9).
What are the key properties of 5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 158.19 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 58091502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).