2-(cyclopropylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol

C9H15N3OS2 — CID 64805995

IUPAC2-(cyclopropylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
SMILESOCC(CCSc1nncs1)NC1CC1
InChIInChI=1S/C9H15N3OS2/c13-5-8(11-7-1-2-7)3-4-14-9-12-10-6-15-9/h6-8,11,13H,1-5H2
InChIKeyQUGQQORINVKAFJ-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.13
Rot. Bonds7

About 2-(cyclopropylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol

2-(cyclopropylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol (PubChem CID 64805995) has the molecular formula C9H15N3OS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
PubChem CID64805995
Molecular FormulaC9H15N3OS2
Molecular Weight245.37 g/mol
Exact Mass245.07
IUPAC Name2-(cyclopropylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
SMILESOCC(CCSc1nncs1)NC1CC1
InChIInChI=1S/C9H15N3OS2/c13-5-8(11-7-1-2-7)3-4-14-9-12-10-6-15-9/h6-8,11,13H,1-5H2
InChIKeyQUGQQORINVKAFJ-UHFFFAOYSA-N
XLogP1.13
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.13
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
2-(Methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64805590
2-(Cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64805593
2-(Cyclopropylamino)-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64805792
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
2-(Ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64805989
2-(Cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64805990
2-(Ethylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64805992

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol (CID 64805995) is 2-(cyclopropylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol is OCC(CCSc1nncs1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The InChIKey is QUGQQORINVKAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS2/c13-5-8(11-7-1-2-7)3-4-14-9-12-10-6-15-9/h6-8,11,13H,1-5H2.
What are the key properties of 2-(cyclopropylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
2-(cyclopropylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol is sourced from PubChem (CID 64805995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).