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

C11H19N3OS2 — CID 64805593

IUPAC2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
SMILESCC(CC(C)(CO)NC1CC1)Sc1nncs1
InChIInChI=1S/C11H19N3OS2/c1-8(17-10-14-12-7-16-10)5-11(2,6-15)13-9-3-4-9/h7-9,13,15H,3-6H2,1-2H3
InChIKeyDMOTZLKFUURLPX-UHFFFAOYSA-N
MW273.43 g/mol
LogP1.91
Rot. Bonds7

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

2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol (PubChem CID 64805593) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
PubChem CID64805593
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
SMILESCC(CC(C)(CO)NC1CC1)Sc1nncs1
InChIInChI=1S/C11H19N3OS2/c1-8(17-10-14-12-7-16-10)5-11(2,6-15)13-9-3-4-9/h7-9,13,15H,3-6H2,1-2H3
InChIKeyDMOTZLKFUURLPX-UHFFFAOYSA-N
XLogP1.91
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Cyclopropyl-2-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64805386
2-Methyl-2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64805591
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-(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-(Cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64805990
2-Methyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64805991
2-(Ethylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64805992
2-(Cyclopropylamino)-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64805994
2-(Cyclopropylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64805995
2-(Propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64806199

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol (CID 64805593) is 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol is CC(CC(C)(CO)NC1CC1)Sc1nncs1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The InChIKey is DMOTZLKFUURLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-8(17-10-14-12-7-16-10)5-11(2,6-15)13-9-3-4-9/h7-9,13,15H,3-6H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol has a molecular weight of 273.43 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol is sourced from PubChem (CID 64805593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).