5-methyl-1,3,4-thiadiazole-2-carbohydrazide

C4H6N4OS — CID 130690461

IUPAC5-methyl-1,3,4-thiadiazole-2-carbohydrazide
SMILESCc1nnc(C(=O)NN)s1
InChIInChI=1S/C4H6N4OS/c1-2-7-8-4(10-2)3(9)6-5/h5H2,1H3,(H,6,9)
InChIKeyRSTDPTAGAHSZJV-UHFFFAOYSA-N
MW158.19 g/mol
LogP-0.55
Rot. Bonds1

About 5-methyl-1,3,4-thiadiazole-2-carbohydrazide

5-methyl-1,3,4-thiadiazole-2-carbohydrazide (PubChem CID 130690461) has the molecular formula C4H6N4OS and a molecular weight of 158.19 g/mol. Its IUPAC name is 5-methyl-1,3,4-thiadiazole-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-1,3,4-thiadiazole-2-carbohydrazide
PubChem CID130690461
Molecular FormulaC4H6N4OS
Molecular Weight158.19 g/mol
Exact Mass158.03
IUPAC Name5-methyl-1,3,4-thiadiazole-2-carbohydrazide
SMILESCc1nnc(C(=O)NN)s1
InChIInChI=1S/C4H6N4OS/c1-2-7-8-4(10-2)3(9)6-5/h5H2,1H3,(H,6,9)
InChIKeyRSTDPTAGAHSZJV-UHFFFAOYSA-N
XLogP-0.55
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 ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 53397288
5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 130703712
lithium;hydride;5-methyl-1,3,4-thiadiazole-2-carboxylic acid
CID 175461334
ethyl (2Z)-2-methoxyimino-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetate
CID 12889177
trifluoromethyl 5-methyl-1,3,4-thiadiazole-2-carboxylate
CID 59126499
5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 58091502
ethyl 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole-2-carboxylate
CID 80605209
5-methyl-N-[4-(3-methylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46327478
N-[2-(3-bromophenoxy)ethyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 75505499
5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 80746056
(5-methyl-1,3,4-thiadiazol-2-yl)methyl acetate
CID 130639064
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 154764205

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3,4-thiadiazole-2-carbohydrazide?
The IUPAC name of 5-methyl-1,3,4-thiadiazole-2-carbohydrazide (CID 130690461) is 5-methyl-1,3,4-thiadiazole-2-carbohydrazide.
What is the SMILES notation for 5-methyl-1,3,4-thiadiazole-2-carbohydrazide?
The canonical SMILES for 5-methyl-1,3,4-thiadiazole-2-carbohydrazide is Cc1nnc(C(=O)NN)s1.
What is the InChIKey of 5-methyl-1,3,4-thiadiazole-2-carbohydrazide?
The InChIKey is RSTDPTAGAHSZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4OS/c1-2-7-8-4(10-2)3(9)6-5/h5H2,1H3,(H,6,9).
What are the key properties of 5-methyl-1,3,4-thiadiazole-2-carbohydrazide?
5-methyl-1,3,4-thiadiazole-2-carbohydrazide has a molecular weight of 158.19 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3,4-thiadiazole-2-carbohydrazide is sourced from PubChem (CID 130690461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).