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

C9H15N3OS3 — CID 115384262

IUPAC2-amino-2-cyclopropyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
SMILESCSc1nnc(SCC(N)(CO)C2CC2)s1
InChIInChI=1S/C9H15N3OS3/c1-14-7-11-12-8(16-7)15-5-9(10,4-13)6-2-3-6/h6,13H,2-5,10H2,1H3
InChIKeyQUXVLQWMXIPEGX-UHFFFAOYSA-N
MW277.44 g/mol
LogP1.45
Rot. Bonds6

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

2-amino-2-cyclopropyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol (PubChem CID 115384262) has the molecular formula C9H15N3OS3 and a molecular weight of 277.44 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
PubChem CID115384262
Molecular FormulaC9H15N3OS3
Molecular Weight277.44 g/mol
Exact Mass277.04
IUPAC Name2-amino-2-cyclopropyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
SMILESCSc1nnc(SCC(N)(CO)C2CC2)s1
InChIInChI=1S/C9H15N3OS3/c1-14-7-11-12-8(16-7)15-5-9(10,4-13)6-2-3-6/h6,13H,2-5,10H2,1H3
InChIKeyQUXVLQWMXIPEGX-UHFFFAOYSA-N
XLogP1.45
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol (CID 115384262) is 2-amino-2-cyclopropyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol is CSc1nnc(SCC(N)(CO)C2CC2)s1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The InChIKey is QUXVLQWMXIPEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS3/c1-14-7-11-12-8(16-7)15-5-9(10,4-13)6-2-3-6/h6,13H,2-5,10H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
2-amino-2-cyclopropyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol has a molecular weight of 277.44 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 115384262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).