3,3-dimethyl-4-(1,3,4-thiadiazol-2-ylamino)butan-1-ol

C8H15N3OS — CID 106144358

IUPAC3,3-dimethyl-4-(1,3,4-thiadiazol-2-ylamino)butan-1-ol
SMILESCC(C)(CCO)CNc1nncs1
InChIInChI=1S/C8H15N3OS/c1-8(2,3-4-12)5-9-7-11-10-6-13-7/h6,12H,3-5H2,1-2H3,(H,9,11)
InChIKeyTVJZQPAMZBUAOW-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.36
Rot. Bonds5

About 3,3-dimethyl-4-(1,3,4-thiadiazol-2-ylamino)butan-1-ol

3,3-dimethyl-4-(1,3,4-thiadiazol-2-ylamino)butan-1-ol (PubChem CID 106144358) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 3,3-dimethyl-4-(1,3,4-thiadiazol-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-(1,3,4-thiadiazol-2-ylamino)butan-1-ol
PubChem CID106144358
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name3,3-dimethyl-4-(1,3,4-thiadiazol-2-ylamino)butan-1-ol
SMILESCC(C)(CCO)CNc1nncs1
InChIInChI=1S/C8H15N3OS/c1-8(2,3-4-12)5-9-7-11-10-6-13-7/h6,12H,3-5H2,1-2H3,(H,9,11)
InChIKeyTVJZQPAMZBUAOW-UHFFFAOYSA-N
XLogP1.36
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(1,3,4-thiadiazol-2-ylamino)butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-(1,3,4-thiadiazol-2-ylamino)butan-1-ol (CID 106144358) is 3,3-dimethyl-4-(1,3,4-thiadiazol-2-ylamino)butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-(1,3,4-thiadiazol-2-ylamino)butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-(1,3,4-thiadiazol-2-ylamino)butan-1-ol is CC(C)(CCO)CNc1nncs1.
What is the InChIKey of 3,3-dimethyl-4-(1,3,4-thiadiazol-2-ylamino)butan-1-ol?
The InChIKey is TVJZQPAMZBUAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-8(2,3-4-12)5-9-7-11-10-6-13-7/h6,12H,3-5H2,1-2H3,(H,9,11).
What are the key properties of 3,3-dimethyl-4-(1,3,4-thiadiazol-2-ylamino)butan-1-ol?
3,3-dimethyl-4-(1,3,4-thiadiazol-2-ylamino)butan-1-ol has a molecular weight of 201.29 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(1,3,4-thiadiazol-2-ylamino)butan-1-ol is sourced from PubChem (CID 106144358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).