N-[3-(dimethylamino)propyl]-4-methylthiadiazole-5-carboxamide

C9H16N4OS — CID 7576683

IUPACN-[3-(dimethylamino)propyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCCN(C)C
InChIInChI=1S/C9H16N4OS/c1-7-8(15-12-11-7)9(14)10-5-4-6-13(2)3/h4-6H2,1-3H3,(H,10,14)
InChIKeyAMTYWERSNMFHRG-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.53
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-4-methylthiadiazole-5-carboxamide

N-[3-(dimethylamino)propyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 7576683) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-methylthiadiazole-5-carboxamide
PubChem CID7576683
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC NameN-[3-(dimethylamino)propyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCCN(C)C
InChIInChI=1S/C9H16N4OS/c1-7-8(15-12-11-7)9(14)10-5-4-6-13(2)3/h4-6H2,1-3H3,(H,10,14)
InChIKeyAMTYWERSNMFHRG-UHFFFAOYSA-N
XLogP0.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
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 N-[3-(dimethylamino)propyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-methylthiadiazole-5-carboxamide (CID 7576683) is N-[3-(dimethylamino)propyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is AMTYWERSNMFHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-7-8(15-12-11-7)9(14)10-5-4-6-13(2)3/h4-6H2,1-3H3,(H,10,14).
What are the key properties of N-[3-(dimethylamino)propyl]-4-methylthiadiazole-5-carboxamide?
N-[3-(dimethylamino)propyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 7576683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).