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

C10H19N3OS2 — CID 106246115

IUPAC2-methyl-1-methylsulfanyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCCCc1nsc(NCC(C)(O)CSC)n1
InChIInChI=1S/C10H19N3OS2/c1-4-5-8-12-9(16-13-8)11-6-10(2,14)7-15-3/h14H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyYZAHKDWRUBSFOJ-UHFFFAOYSA-N
MW261.42 g/mol
LogP2.02
Rot. Bonds7

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

2-methyl-1-methylsulfanyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (PubChem CID 106246115) has the molecular formula C10H19N3OS2 and a molecular weight of 261.42 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
PubChem CID106246115
Molecular FormulaC10H19N3OS2
Molecular Weight261.42 g/mol
Exact Mass261.10
IUPAC Name2-methyl-1-methylsulfanyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCCCc1nsc(NCC(C)(O)CSC)n1
InChIInChI=1S/C10H19N3OS2/c1-4-5-8-12-9(16-13-8)11-6-10(2,14)7-15-3/h14H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyYZAHKDWRUBSFOJ-UHFFFAOYSA-N
XLogP2.02
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol
CID 65274410
1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249072
3-methyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol
CID 106171537
2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol
CID 114757150
3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine
CID 103736647
N-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
CID 65271676
N,N-dimethyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetamide
CID 65271389
2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 65277150
1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248913
N-(2-ethoxy-2-methylpropyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 114943090
N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271114
4-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzoic acid
CID 65273614

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (CID 106246115) is 2-methyl-1-methylsulfanyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is CCCc1nsc(NCC(C)(O)CSC)n1.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The InChIKey is YZAHKDWRUBSFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS2/c1-4-5-8-12-9(16-13-8)11-6-10(2,14)7-15-3/h14H,4-7H2,1-3H3,(H,11,12,13).
What are the key properties of 2-methyl-1-methylsulfanyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
2-methyl-1-methylsulfanyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol has a molecular weight of 261.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 106246115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).