4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide

C8H14N4OS — CID 43600601

IUPAC4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
SMILESCNCCCNC(=O)c1snnc1C
InChIInChI=1S/C8H14N4OS/c1-6-7(14-12-11-6)8(13)10-5-3-4-9-2/h9H,3-5H2,1-2H3,(H,10,13)
InChIKeyFVUHQKZBCBPPGW-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.19
Rot. Bonds5

About 4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide

4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide (PubChem CID 43600601) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
PubChem CID43600601
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
SMILESCNCCCNC(=O)c1snnc1C
InChIInChI=1S/C8H14N4OS/c1-6-7(14-12-11-6)8(13)10-5-3-4-9-2/h9H,3-5H2,1-2H3,(H,10,13)
InChIKeyFVUHQKZBCBPPGW-UHFFFAOYSA-N
XLogP0.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide (CID 43600601) is 4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide is CNCCCNC(=O)c1snnc1C.
What is the InChIKey of 4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide?
The InChIKey is FVUHQKZBCBPPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-6-7(14-12-11-6)8(13)10-5-3-4-9-2/h9H,3-5H2,1-2H3,(H,10,13).
What are the key properties of 4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide?
4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 43600601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).