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

C7H13N3OS2 — CID 64807894

IUPAC2-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
SMILESCc1nnc(SCC(C)(N)CO)s1
InChIInChI=1S/C7H13N3OS2/c1-5-9-10-6(13-5)12-4-7(2,8)3-11/h11H,3-4,8H2,1-2H3
InChIKeyYCUGJJHUASIIJC-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.65
Rot. Bonds4

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

2-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol (PubChem CID 64807894) has the molecular formula C7H13N3OS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
PubChem CID64807894
Molecular FormulaC7H13N3OS2
Molecular Weight219.33 g/mol
Exact Mass219.05
IUPAC Name2-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
SMILESCc1nnc(SCC(C)(N)CO)s1
InChIInChI=1S/C7H13N3OS2/c1-5-9-10-6(13-5)12-4-7(2,8)3-11/h11H,3-4,8H2,1-2H3
InChIKeyYCUGJJHUASIIJC-UHFFFAOYSA-N
XLogP0.65
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol
CID 90192622
2-Amino-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol
CID 118318100
3-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 60626945
4-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
CID 60875814
1-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876761
2-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 64807889
2-Amino-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
CID 64807890
2-Amino-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
CID 64807893
2-Methyl-2-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 64807898
2-Amino-2-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
CID 64808093
2-Amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
CID 64808488
1-Amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol
CID 64813834

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The IUPAC name of 2-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol (CID 64807894) is 2-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 2-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol is Cc1nnc(SCC(C)(N)CO)s1.
What is the InChIKey of 2-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The InChIKey is YCUGJJHUASIIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS2/c1-5-9-10-6(13-5)12-4-7(2,8)3-11/h11H,3-4,8H2,1-2H3.
What are the key properties of 2-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
2-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 64807894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).