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

C10H19N3OS2 — CID 64808087

IUPAC2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)propan-1-ol
SMILESCc1nnc(SCC(C)(CO)NC(C)C)s1
InChIInChI=1S/C10H19N3OS2/c1-7(2)11-10(4,5-14)6-15-9-13-12-8(3)16-9/h7,11,14H,5-6H2,1-4H3
InChIKeyXYRWDVOHCYTOPU-UHFFFAOYSA-N
MW261.42 g/mol
LogP1.69
Rot. Bonds6

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

2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64808087) has the molecular formula C10H19N3OS2 and a molecular weight of 261.42 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)propan-1-ol
PubChem CID64808087
Molecular FormulaC10H19N3OS2
Molecular Weight261.42 g/mol
Exact Mass261.10
IUPAC Name2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)propan-1-ol
SMILESCc1nnc(SCC(C)(CO)NC(C)C)s1
InChIInChI=1S/C10H19N3OS2/c1-7(2)11-10(4,5-14)6-15-9-13-12-8(3)16-9/h7,11,14H,5-6H2,1-4H3
InChIKeyXYRWDVOHCYTOPU-UHFFFAOYSA-N
XLogP1.69
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)propan-1-ol (CID 64808087) is 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)propan-1-ol is Cc1nnc(SCC(C)(CO)NC(C)C)s1.
What is the InChIKey of 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is XYRWDVOHCYTOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS2/c1-7(2)11-10(4,5-14)6-15-9-13-12-8(3)16-9/h7,11,14H,5-6H2,1-4H3.
What are the key properties of 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)propan-1-ol?
2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 261.42 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64808087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).