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

C10H19N3OS3 — CID 113317903

IUPAC1-(2-methylpropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCSc1nnc(SCC(O)CNCC(C)C)s1
InChIInChI=1S/C10H19N3OS3/c1-7(2)4-11-5-8(14)6-16-10-13-12-9(15-3)17-10/h7-8,11,14H,4-6H2,1-3H3
InChIKeyVKVZYXMTYSASJC-UHFFFAOYSA-N
MW293.48 g/mol
LogP1.96
Rot. Bonds8

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

1-(2-methylpropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 113317903) has the molecular formula C10H19N3OS3 and a molecular weight of 293.48 g/mol. Its IUPAC name is 1-(2-methylpropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
PubChem CID113317903
Molecular FormulaC10H19N3OS3
Molecular Weight293.48 g/mol
Exact Mass293.07
IUPAC Name1-(2-methylpropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCSc1nnc(SCC(O)CNCC(C)C)s1
InChIInChI=1S/C10H19N3OS3/c1-7(2)4-11-5-8(14)6-16-10-13-12-9(15-3)17-10/h7-8,11,14H,4-6H2,1-3H3
InChIKeyVKVZYXMTYSASJC-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1-(2-methylpropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (CID 113317903) is 1-(2-methylpropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1-(2-methylpropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1-(2-methylpropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is CSc1nnc(SCC(O)CNCC(C)C)s1.
What is the InChIKey of 1-(2-methylpropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is VKVZYXMTYSASJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS3/c1-7(2)4-11-5-8(14)6-16-10-13-12-9(15-3)17-10/h7-8,11,14H,4-6H2,1-3H3.
What are the key properties of 1-(2-methylpropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
1-(2-methylpropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 293.48 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 113317903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).