N,N-dimethyl-3-(thiadiazol-4-ylmethylamino)propanamide

C8H14N4OS — CID 60925705

IUPACN,N-dimethyl-3-(thiadiazol-4-ylmethylamino)propanamide
SMILESCN(C)C(=O)CCNCc1csnn1
InChIInChI=1S/C8H14N4OS/c1-12(2)8(13)3-4-9-5-7-6-14-11-10-7/h6,9H,3-5H2,1-2H3
InChIKeyVRVZKFQMPITVPR-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.11
Rot. Bonds5

About N,N-dimethyl-3-(thiadiazol-4-ylmethylamino)propanamide

N,N-dimethyl-3-(thiadiazol-4-ylmethylamino)propanamide (PubChem CID 60925705) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N,N-dimethyl-3-(thiadiazol-4-ylmethylamino)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(thiadiazol-4-ylmethylamino)propanamide
PubChem CID60925705
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN,N-dimethyl-3-(thiadiazol-4-ylmethylamino)propanamide
SMILESCN(C)C(=O)CCNCc1csnn1
InChIInChI=1S/C8H14N4OS/c1-12(2)8(13)3-4-9-5-7-6-14-11-10-7/h6,9H,3-5H2,1-2H3
InChIKeyVRVZKFQMPITVPR-UHFFFAOYSA-N
XLogP0.11
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 ≤ 50.11
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,N-dimethyl-3-(thiadiazol-4-ylmethylamino)propanamide?
The IUPAC name of N,N-dimethyl-3-(thiadiazol-4-ylmethylamino)propanamide (CID 60925705) is N,N-dimethyl-3-(thiadiazol-4-ylmethylamino)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(thiadiazol-4-ylmethylamino)propanamide?
The canonical SMILES for N,N-dimethyl-3-(thiadiazol-4-ylmethylamino)propanamide is CN(C)C(=O)CCNCc1csnn1.
What is the InChIKey of N,N-dimethyl-3-(thiadiazol-4-ylmethylamino)propanamide?
The InChIKey is VRVZKFQMPITVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-12(2)8(13)3-4-9-5-7-6-14-11-10-7/h6,9H,3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(thiadiazol-4-ylmethylamino)propanamide?
N,N-dimethyl-3-(thiadiazol-4-ylmethylamino)propanamide has a molecular weight of 214.29 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(thiadiazol-4-ylmethylamino)propanamide is sourced from PubChem (CID 60925705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).