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

C9H17N3OS — CID 106350751

IUPAC4,4-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1nncs1
InChIInChI=1S/C9H17N3OS/c1-9(2,3)7(4-5-13)11-8-12-10-6-14-8/h6-7,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyJPBVJRVBTADFCS-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.75
Rot. Bonds4

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

4,4-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol (PubChem CID 106350751) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 4,4-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol
PubChem CID106350751
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name4,4-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1nncs1
InChIInChI=1S/C9H17N3OS/c1-9(2,3)7(4-5-13)11-8-12-10-6-14-8/h6-7,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyJPBVJRVBTADFCS-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol (CID 106350751) is 4,4-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol is CC(C)(C)C(CCO)Nc1nncs1.
What is the InChIKey of 4,4-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol?
The InChIKey is JPBVJRVBTADFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-9(2,3)7(4-5-13)11-8-12-10-6-14-8/h6-7,13H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 4,4-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol?
4,4-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol has a molecular weight of 215.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol is sourced from PubChem (CID 106350751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).