2-cyclopropyl-2-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol

C11H19N3OS2 — CID 64808097

IUPAC2-cyclopropyl-2-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
SMILESCCNC(CO)(CSc1nnc(C)s1)C1CC1
InChIInChI=1S/C11H19N3OS2/c1-3-12-11(6-15,9-4-5-9)7-16-10-14-13-8(2)17-10/h9,12,15H,3-7H2,1-2H3
InChIKeyLKXHVAVRKYUSEX-UHFFFAOYSA-N
MW273.43 g/mol
LogP1.69
Rot. Bonds7

About 2-cyclopropyl-2-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol

2-cyclopropyl-2-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol (PubChem CID 64808097) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
PubChem CID64808097
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
SMILESCCNC(CO)(CSc1nnc(C)s1)C1CC1
InChIInChI=1S/C11H19N3OS2/c1-3-12-11(6-15,9-4-5-9)7-16-10-14-13-8(2)17-10/h9,12,15H,3-7H2,1-2H3
InChIKeyLKXHVAVRKYUSEX-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol (CID 64808097) is 2-cyclopropyl-2-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol is CCNC(CO)(CSc1nnc(C)s1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The InChIKey is LKXHVAVRKYUSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-3-12-11(6-15,9-4-5-9)7-16-10-14-13-8(2)17-10/h9,12,15H,3-7H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
2-cyclopropyl-2-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol has a molecular weight of 273.43 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 64808097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).