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

C8H15N3OS2 — CID 64806202

IUPAC2-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
SMILESCC(C)NC(CO)CSc1nncs1
InChIInChI=1S/C8H15N3OS2/c1-6(2)10-7(3-12)4-13-8-11-9-5-14-8/h5-7,10,12H,3-4H2,1-2H3
InChIKeyPEVLSXXFHKNFIH-UHFFFAOYSA-N
MW233.36 g/mol
LogP0.99
Rot. Bonds6

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

2-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol (PubChem CID 64806202) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
PubChem CID64806202
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name2-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
SMILESCC(C)NC(CO)CSc1nncs1
InChIInChI=1S/C8H15N3OS2/c1-6(2)10-7(3-12)4-13-8-11-9-5-14-8/h5-7,10,12H,3-4H2,1-2H3
InChIKeyPEVLSXXFHKNFIH-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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Related Compounds

1-(Cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43166400
1-(Propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43166401
1-(Propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43166402
1-(Ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43166403
1-(Methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43188141
N-(2-methoxyethyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62577886
1-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine
CID 62579385
2-(Methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64805590
2-Methyl-2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64805592
2-Methyl-2-(propan-2-ylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64805791
2-(Ethylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64805793
2-(Propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64805796

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
The IUPAC name of 2-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol (CID 64806202) is 2-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
The canonical SMILES for 2-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol is CC(C)NC(CO)CSc1nncs1.
What is the InChIKey of 2-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
The InChIKey is PEVLSXXFHKNFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-6(2)10-7(3-12)4-13-8-11-9-5-14-8/h5-7,10,12H,3-4H2,1-2H3.
What are the key properties of 2-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
2-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-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 2-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol is sourced from PubChem (CID 64806202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).