2-(cyclopropylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol

C10H17N3OS2 — CID 64808091

IUPAC2-(cyclopropylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
SMILESCc1nnc(SCCC(CO)NC2CC2)s1
InChIInChI=1S/C10H17N3OS2/c1-7-12-13-10(16-7)15-5-4-9(6-14)11-8-2-3-8/h8-9,11,14H,2-6H2,1H3
InChIKeySEABQQGGTDZFRK-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.44
Rot. Bonds7

About 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol

2-(cyclopropylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol (PubChem CID 64808091) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
PubChem CID64808091
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name2-(cyclopropylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
SMILESCc1nnc(SCCC(CO)NC2CC2)s1
InChIInChI=1S/C10H17N3OS2/c1-7-12-13-10(16-7)15-5-4-9(6-14)11-8-2-3-8/h8-9,11,14H,2-6H2,1H3
InChIKeySEABQQGGTDZFRK-UHFFFAOYSA-N
XLogP1.44
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(Cyclopropylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876763
1-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol
CID 60876943
1-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propylamino)propan-2-ol
CID 60876944
1-(Ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876945
2-(Ethylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
CID 64807885
2-(Ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 64807887
2-Methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)pentan-1-ol
CID 64807888
2-Cyclopropyl-2-(cyclopropylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 64807892
3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol
CID 64807896
2-(Ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
CID 64807897
2-Methyl-2-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 64807898
2-(Cyclopropylamino)-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 64807899

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol (CID 64808091) is 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol is Cc1nnc(SCCC(CO)NC2CC2)s1.
What is the InChIKey of 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol?
The InChIKey is SEABQQGGTDZFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-7-12-13-10(16-7)15-5-4-9(6-14)11-8-2-3-8/h8-9,11,14H,2-6H2,1H3.
What are the key properties of 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol?
2-(cyclopropylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol has a molecular weight of 259.40 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol is sourced from PubChem (CID 64808091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).