1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol

C8H15N3OS2 — CID 43166401

IUPAC1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
SMILESCC(C)NCC(O)CSc1nncs1
InChIInChI=1S/C8H15N3OS2/c1-6(2)9-3-7(12)4-13-8-11-10-5-14-8/h5-7,9,12H,3-4H2,1-2H3
InChIKeyDOZWMPBDPFIPND-UHFFFAOYSA-N
MW233.36 g/mol
LogP0.99
Rot. Bonds6

About 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol

1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol (PubChem CID 43166401) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
PubChem CID43166401
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
SMILESCC(C)NCC(O)CSc1nncs1
InChIInChI=1S/C8H15N3OS2/c1-6(2)9-3-7(12)4-13-8-11-10-5-14-8/h5-7,9,12H,3-4H2,1-2H3
InChIKeyDOZWMPBDPFIPND-UHFFFAOYSA-N
XLogP0.99
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The IUPAC name of 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol (CID 43166401) is 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol is CC(C)NCC(O)CSc1nncs1.
What is the InChIKey of 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The InChIKey is DOZWMPBDPFIPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-6(2)9-3-7(12)4-13-8-11-10-5-14-8/h5-7,9,12H,3-4H2,1-2H3.
What are the key properties of 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol has a molecular weight of 233.36 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 43166401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).