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

C10H19N3OS — CID 115907348

IUPAC4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
SMILESCC(C)(C)CC(O)CNCc1csnn1
InChIInChI=1S/C10H19N3OS/c1-10(2,3)4-9(14)6-11-5-8-7-15-13-12-8/h7,9,11,14H,4-6H2,1-3H3
InChIKeyQXFPVHXKWRBNNY-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.42
Rot. Bonds5

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

4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol (PubChem CID 115907348) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
PubChem CID115907348
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
SMILESCC(C)(C)CC(O)CNCc1csnn1
InChIInChI=1S/C10H19N3OS/c1-10(2,3)4-9(14)6-11-5-8-7-15-13-12-8/h7,9,11,14H,4-6H2,1-3H3
InChIKeyQXFPVHXKWRBNNY-UHFFFAOYSA-N
XLogP1.42
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

Analyze 4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylpropoxy)-3-(thiadiazol-4-ylmethylamino)propan-2-ol
CID 115904997
3-methyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907114
2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine
CID 115405649
1-cyclopentyl-2-(thiadiazol-4-ylmethylamino)ethanol
CID 115907469
1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol
CID 115907720
2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907182
4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
CID 107151555
1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 103908815
4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine
CID 130899017
2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol
CID 106186625
N-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 115907644
N-(thiadiazol-4-ylmethyl)but-2-yn-1-amine
CID 115908801

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol (CID 115907348) is 4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol is CC(C)(C)CC(O)CNCc1csnn1.
What is the InChIKey of 4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol?
The InChIKey is QXFPVHXKWRBNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-10(2,3)4-9(14)6-11-5-8-7-15-13-12-8/h7,9,11,14H,4-6H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol?
4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol has a molecular weight of 229.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol is sourced from PubChem (CID 115907348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).