4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol

C10H19N3OS3 — CID 113298934

IUPAC4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol
SMILESCSc1nnc(SCCC(CO)NC(C)C)s1
InChIInChI=1S/C10H19N3OS3/c1-7(2)11-8(6-14)4-5-16-10-13-12-9(15-3)17-10/h7-8,11,14H,4-6H2,1-3H3
InChIKeyHZUABUKPEWBVPA-UHFFFAOYSA-N
MW293.48 g/mol
LogP2.10
Rot. Bonds8

About 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol

4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol (PubChem CID 113298934) has the molecular formula C10H19N3OS3 and a molecular weight of 293.48 g/mol. Its IUPAC name is 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol
PubChem CID113298934
Molecular FormulaC10H19N3OS3
Molecular Weight293.48 g/mol
Exact Mass293.07
IUPAC Name4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol
SMILESCSc1nnc(SCCC(CO)NC(C)C)s1
InChIInChI=1S/C10H19N3OS3/c1-7(2)11-8(6-14)4-5-16-10-13-12-9(15-3)17-10/h7-8,11,14H,4-6H2,1-3H3
InChIKeyHZUABUKPEWBVPA-UHFFFAOYSA-N
XLogP2.10
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol (CID 113298934) is 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol is CSc1nnc(SCCC(CO)NC(C)C)s1.
What is the InChIKey of 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is HZUABUKPEWBVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS3/c1-7(2)11-8(6-14)4-5-16-10-13-12-9(15-3)17-10/h7-8,11,14H,4-6H2,1-3H3.
What are the key properties of 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol?
4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 293.48 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 113298934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).