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

C10H19N3OS2 — CID 64808082

IUPAC4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCSc1nnc(C)s1
InChIInChI=1S/C10H19N3OS2/c1-3-5-11-9(7-14)4-6-15-10-13-12-8(2)16-10/h9,11,14H,3-7H2,1-2H3
InChIKeyHECKGFRSSKTFBN-UHFFFAOYSA-N
MW261.42 g/mol
LogP1.69
Rot. Bonds8

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

4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)butan-1-ol (PubChem CID 64808082) has the molecular formula C10H19N3OS2 and a molecular weight of 261.42 g/mol. Its IUPAC name is 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)butan-1-ol
PubChem CID64808082
Molecular FormulaC10H19N3OS2
Molecular Weight261.42 g/mol
Exact Mass261.10
IUPAC Name4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCSc1nnc(C)s1
InChIInChI=1S/C10H19N3OS2/c1-3-5-11-9(7-14)4-6-15-10-13-12-8(2)16-10/h9,11,14H,3-7H2,1-2H3
InChIKeyHECKGFRSSKTFBN-UHFFFAOYSA-N
XLogP1.69
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)butan-1-ol?
The IUPAC name of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)butan-1-ol (CID 64808082) is 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)butan-1-ol is CCCNC(CO)CCSc1nnc(C)s1.
What is the InChIKey of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)butan-1-ol?
The InChIKey is HECKGFRSSKTFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS2/c1-3-5-11-9(7-14)4-6-15-10-13-12-8(2)16-10/h9,11,14H,3-7H2,1-2H3.
What are the key properties of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)butan-1-ol?
4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)butan-1-ol has a molecular weight of 261.42 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64808082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).