N-[3-(dimethylamino)propyl]thiadiazole-4-carboxamide

C8H14N4OS — CID 60588454

IUPACN-[3-(dimethylamino)propyl]thiadiazole-4-carboxamide
SMILESCN(C)CCCNC(=O)c1csnn1
InChIInChI=1S/C8H14N4OS/c1-12(2)5-3-4-9-8(13)7-6-14-11-10-7/h6H,3-5H2,1-2H3,(H,9,13)
InChIKeyKFRUJSIUYGBUKV-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.22
Rot. Bonds5

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

N-[3-(dimethylamino)propyl]thiadiazole-4-carboxamide (PubChem CID 60588454) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]thiadiazole-4-carboxamide
PubChem CID60588454
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN-[3-(dimethylamino)propyl]thiadiazole-4-carboxamide
SMILESCN(C)CCCNC(=O)c1csnn1
InChIInChI=1S/C8H14N4OS/c1-12(2)5-3-4-9-8(13)7-6-14-11-10-7/h6H,3-5H2,1-2H3,(H,9,13)
InChIKeyKFRUJSIUYGBUKV-UHFFFAOYSA-N
XLogP0.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.22
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]thiadiazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]thiadiazole-4-carboxamide (CID 60588454) is N-[3-(dimethylamino)propyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]thiadiazole-4-carboxamide is CN(C)CCCNC(=O)c1csnn1.
What is the InChIKey of N-[3-(dimethylamino)propyl]thiadiazole-4-carboxamide?
The InChIKey is KFRUJSIUYGBUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-12(2)5-3-4-9-8(13)7-6-14-11-10-7/h6H,3-5H2,1-2H3,(H,9,13).
What are the key properties of N-[3-(dimethylamino)propyl]thiadiazole-4-carboxamide?
N-[3-(dimethylamino)propyl]thiadiazole-4-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.22, 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]thiadiazole-4-carboxamide is sourced from PubChem (CID 60588454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).