5-amino-N-(3-propoxypropyl)-1,3,4-thiadiazole-2-carboxamide

C9H16N4O2S — CID 82947069

IUPAC5-amino-N-(3-propoxypropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCOCCCNC(=O)c1nnc(N)s1
InChIInChI=1S/C9H16N4O2S/c1-2-5-15-6-3-4-11-7(14)8-12-13-9(10)16-8/h2-6H2,1H3,(H2,10,13)(H,11,14)
InChIKeyDXADCTITPFBDPI-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.67
Rot. Bonds7

About 5-amino-N-(3-propoxypropyl)-1,3,4-thiadiazole-2-carboxamide

5-amino-N-(3-propoxypropyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 82947069) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 5-amino-N-(3-propoxypropyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-propoxypropyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID82947069
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name5-amino-N-(3-propoxypropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCOCCCNC(=O)c1nnc(N)s1
InChIInChI=1S/C9H16N4O2S/c1-2-5-15-6-3-4-11-7(14)8-12-13-9(10)16-8/h2-6H2,1H3,(H2,10,13)(H,11,14)
InChIKeyDXADCTITPFBDPI-UHFFFAOYSA-N
XLogP0.67
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide
CID 80616925
5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide
CID 104765544
5-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617326
N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617528
5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615780
4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide
CID 116671855
3-amino-5-bromo-N-(3-propoxypropyl)benzamide
CID 82949916
5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
CID 82947676
5-chloro-N-[3-(2-methylpropoxy)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618332
3-amino-3-methyl-N-(3-propoxypropyl)butanamide
CID 82940158
4-amino-1-ethyl-3-methyl-N-(3-propoxypropyl)pyrazole-5-carboxamide
CID 82950007
3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 82947525

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-propoxypropyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(3-propoxypropyl)-1,3,4-thiadiazole-2-carboxamide (CID 82947069) is 5-amino-N-(3-propoxypropyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-propoxypropyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-propoxypropyl)-1,3,4-thiadiazole-2-carboxamide is CCCOCCCNC(=O)c1nnc(N)s1.
What is the InChIKey of 5-amino-N-(3-propoxypropyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is DXADCTITPFBDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-2-5-15-6-3-4-11-7(14)8-12-13-9(10)16-8/h2-6H2,1H3,(H2,10,13)(H,11,14).
What are the key properties of 5-amino-N-(3-propoxypropyl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-(3-propoxypropyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 244.32 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-propoxypropyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 82947069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).