2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol

C9H17N3OS — CID 106186625

IUPAC2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol
SMILESCC(C)(O)C(C)(C)NCc1csnn1
InChIInChI=1S/C9H17N3OS/c1-8(2,9(3,4)13)10-5-7-6-14-12-11-7/h6,10,13H,5H2,1-4H3
InChIKeyXLDUKYIZKZCKNA-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.18
Rot. Bonds4

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

2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol (PubChem CID 106186625) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol
PubChem CID106186625
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol
SMILESCC(C)(O)C(C)(C)NCc1csnn1
InChIInChI=1S/C9H17N3OS/c1-8(2,9(3,4)13)10-5-7-6-14-12-11-7/h6,10,13H,5H2,1-4H3
InChIKeyXLDUKYIZKZCKNA-UHFFFAOYSA-N
XLogP1.18
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 115905021
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 113362922
2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907182
4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907348
4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine
CID 130899017
3-hydroxy-3-methyl-1-(thiadiazol-4-yl)butan-2-one
CID 130550346
1-methoxy-2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 86816772
5-methyl-N-(thiadiazol-4-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 107648317
tert-butyl N-[(2S)-2,4-dimethyl-2-(thiadiazol-4-ylmethylamino)pentyl]carbamate
CID 129413596
2-methyl-3-(thiadiazol-4-ylmethylamino)butan-1-ol
CID 115907695
(2R)-2-(thiadiazol-4-ylmethylamino)butan-1-ol
CID 103924393
N-(thiadiazol-4-ylmethyl)but-2-yn-1-amine
CID 115908801

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol (CID 106186625) is 2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol is CC(C)(O)C(C)(C)NCc1csnn1.
What is the InChIKey of 2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol?
The InChIKey is XLDUKYIZKZCKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-8(2,9(3,4)13)10-5-7-6-14-12-11-7/h6,10,13H,5H2,1-4H3.
What are the key properties of 2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol?
2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol has a molecular weight of 215.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol is sourced from PubChem (CID 106186625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).