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

C8H14N4O2S — CID 104765544

IUPAC5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)OCCNC(=O)c1nnc(N)s1
InChIInChI=1S/C8H14N4O2S/c1-5(2)14-4-3-10-6(13)7-11-12-8(9)15-7/h5H,3-4H2,1-2H3,(H2,9,12)(H,10,13)
InChIKeyIAXQFSVGRWVFGZ-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.28
Rot. Bonds5

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

5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 104765544) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID104765544
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)OCCNC(=O)c1nnc(N)s1
InChIInChI=1S/C8H14N4O2S/c1-5(2)14-4-3-10-6(13)7-11-12-8(9)15-7/h5H,3-4H2,1-2H3,(H2,9,12)(H,10,13)
InChIKeyIAXQFSVGRWVFGZ-UHFFFAOYSA-N
XLogP0.28
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.28
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-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617326
5-amino-N-(3-propoxypropyl)-1,3,4-thiadiazole-2-carboxamide
CID 82947069
5-amino-N-hexyl-1,3,4-thiadiazole-2-carboxamide
CID 80616925
5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615780
2-propan-2-yloxyethylurea
CID 22179539
5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 58091502
5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide
CID 106280130
5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 104766810
4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116673372
2-[[5-(methylamino)-1,3,4-thiadiazole-2-carbonyl]amino]ethyl carbamate
CID 83215592
N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615073
5-amino-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 114117633

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide (CID 104765544) is 5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide is CC(C)OCCNC(=O)c1nnc(N)s1.
What is the InChIKey of 5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is IAXQFSVGRWVFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-5(2)14-4-3-10-6(13)7-11-12-8(9)15-7/h5H,3-4H2,1-2H3,(H2,9,12)(H,10,13).
What are the key properties of 5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 230.29 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 104765544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).