2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol

C10H19N3OS — CID 115907182

IUPAC2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
SMILESCCC(C)C(C)(O)CNCc1csnn1
InChIInChI=1S/C10H19N3OS/c1-4-8(2)10(3,14)7-11-5-9-6-15-13-12-9/h6,8,11,14H,4-5,7H2,1-3H3
InChIKeyQZCZNGAAUIOKCP-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.42
Rot. Bonds6

About 2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol

2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol (PubChem CID 115907182) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
PubChem CID115907182
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
SMILESCCC(C)C(C)(O)CNCc1csnn1
InChIInChI=1S/C10H19N3OS/c1-4-8(2)10(3,14)7-11-5-9-6-15-13-12-9/h6,8,11,14H,4-5,7H2,1-3H3
InChIKeyQZCZNGAAUIOKCP-UHFFFAOYSA-N
XLogP1.42
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide
CID 111485978
3-methyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907114
2,3-dimethyl-1-(pyrimidin-5-ylmethylamino)pentan-2-ol
CID 115623487
4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine
CID 130899017
4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907348
2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol
CID 106186625
N'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
CID 115906003
3-ethyl-N-(thiadiazol-4-ylmethyl)pentan-2-amine
CID 63842588
(2R)-2-(thiadiazol-4-ylmethylamino)butan-1-ol
CID 103924393
2,3-dimethyl-1-(pyridin-3-ylmethylamino)pentan-2-ol
CID 111118943
2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol
CID 111118884
2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine
CID 115405649

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol?
The IUPAC name of 2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol (CID 115907182) is 2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol is CCC(C)C(C)(O)CNCc1csnn1.
What is the InChIKey of 2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol?
The InChIKey is QZCZNGAAUIOKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-4-8(2)10(3,14)7-11-5-9-6-15-13-12-9/h6,8,11,14H,4-5,7H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol?
2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol has a molecular weight of 229.35 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol is sourced from PubChem (CID 115907182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).