5-propyl-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3,4-thiadiazol-2-amine

C13H23N3OS — CID 133439393

IUPAC5-propyl-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(NC2CC(C)(C)OC2(C)C)s1
InChIInChI=1S/C13H23N3OS/c1-6-7-10-15-16-11(18-10)14-9-8-12(2,3)17-13(9,4)5/h9H,6-8H2,1-5H3,(H,14,16)
InChIKeyWFGNLLAFBFQDHC-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.25
Rot. Bonds4

About 5-propyl-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3,4-thiadiazol-2-amine

5-propyl-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 133439393) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 5-propyl-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-propyl-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3,4-thiadiazol-2-amine
PubChem CID133439393
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name5-propyl-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCCCc1nnc(NC2CC(C)(C)OC2(C)C)s1
InChIInChI=1S/C13H23N3OS/c1-6-7-10-15-16-11(18-10)14-9-8-12(2,3)17-13(9,4)5/h9H,6-8H2,1-5H3,(H,14,16)
InChIKeyWFGNLLAFBFQDHC-UHFFFAOYSA-N
XLogP3.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-5-propyl-1,3,4-thiadiazol-2-amine
CID 2305533
N-[(3aS,4R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]-5-propyl-1,3,4-thiadiazol-2-amine
CID 100897500
N-(2,2-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647857
N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide
CID 21239238
N-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648198
N-(2,2,5,5-tetramethyloxolan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133439418
N-(4,4-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648100
N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 142435171
N-(2,2-dimethylcyclopropyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 64983019
(3R)-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 99632793
1-hydroxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 110907147
1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine
CID 107647807

Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-propyl-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3,4-thiadiazol-2-amine (CID 133439393) is 5-propyl-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-propyl-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-propyl-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3,4-thiadiazol-2-amine is CCCc1nnc(NC2CC(C)(C)OC2(C)C)s1.
What is the InChIKey of 5-propyl-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WFGNLLAFBFQDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-6-7-10-15-16-11(18-10)14-9-8-12(2,3)17-13(9,4)5/h9H,6-8H2,1-5H3,(H,14,16).
What are the key properties of 5-propyl-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3,4-thiadiazol-2-amine?
5-propyl-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 269.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-(2,2,5,5-tetramethyloxolan-3-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133439393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).