N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide

C10H17N3O3S — CID 65204874

IUPACN-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC(OC)OC
InChIInChI=1S/C10H17N3O3S/c1-4-5-7-9(17-13-12-7)10(14)11-6-8(15-2)16-3/h8H,4-6H2,1-3H3,(H,11,14)
InChIKeyBEDMKEDUWPHCJP-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.84
Rot. Bonds7

About N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide

N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 65204874) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide
PubChem CID65204874
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC(OC)OC
InChIInChI=1S/C10H17N3O3S/c1-4-5-7-9(17-13-12-7)10(14)11-6-8(15-2)16-3/h8H,4-6H2,1-3H3,(H,11,14)
InChIKeyBEDMKEDUWPHCJP-UHFFFAOYSA-N
XLogP0.84
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide
CID 114308874
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide
CID 65205425
4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide
CID 65204875
N-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide
CID 114297929
N-(3-bromo-4-methoxybutyl)-4-propylthiadiazole-5-carboxamide
CID 106244987
N-(3-bromobutyl)-4-propylthiadiazole-5-carboxamide
CID 114312667
N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide
CID 107843629
2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65205844
5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205051
3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206183
4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide
CID 120831305
(2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205940

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide (CID 65204874) is N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCC(OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is BEDMKEDUWPHCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-4-5-7-9(17-13-12-7)10(14)11-6-8(15-2)16-3/h8H,4-6H2,1-3H3,(H,11,14).
What are the key properties of N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide?
N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).