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

C10H19N3OS2 — CID 115476322

IUPAC1-(tert-butylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCc1nnc(SCC(O)CNC(C)(C)C)s1
InChIInChI=1S/C10H19N3OS2/c1-7-12-13-9(16-7)15-6-8(14)5-11-10(2,3)4/h8,11,14H,5-6H2,1-4H3
InChIKeyRPVUAKFDSMRGFA-UHFFFAOYSA-N
MW261.42 g/mol
LogP1.69
Rot. Bonds5

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

1-(tert-butylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 115476322) has the molecular formula C10H19N3OS2 and a molecular weight of 261.42 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
PubChem CID115476322
Molecular FormulaC10H19N3OS2
Molecular Weight261.42 g/mol
Exact Mass261.10
IUPAC Name1-(tert-butylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCc1nnc(SCC(O)CNC(C)(C)C)s1
InChIInChI=1S/C10H19N3OS2/c1-7-12-13-9(16-7)15-6-8(14)5-11-10(2,3)4/h8,11,14H,5-6H2,1-4H3
InChIKeyRPVUAKFDSMRGFA-UHFFFAOYSA-N
XLogP1.69
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
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 1-(tert-butylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (CID 115476322) is 1-(tert-butylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is Cc1nnc(SCC(O)CNC(C)(C)C)s1.
What is the InChIKey of 1-(tert-butylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is RPVUAKFDSMRGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS2/c1-7-12-13-9(16-7)15-6-8(14)5-11-10(2,3)4/h8,11,14H,5-6H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
1-(tert-butylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 261.42 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 115476322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).