trans-(1S,3R)-3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-2,2-dimethylcyclobutan-1-ol

C11H19N3OS — CID 167861819

IUPACtrans-(1S,3R)-3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-2,2-dimethylcyclobutan-1-ol
SMILESCCc1nnc(NC[C@@H]2C[C@H](O)C2(C)C)s1
InChIInChI=1S/C11H19N3OS/c1-4-9-13-14-10(16-9)12-6-7-5-8(15)11(7,2)3/h7-8,15H,4-6H2,1-3H3,(H,12,14)/t7-,8-/m0/s1
InChIKeyFTHSDYRPNBOSEE-YUMQZZPRSA-N
MW241.36 g/mol
LogP1.92
Rot. Bonds4

About trans-(1S,3R)-3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-2,2-dimethylcyclobutan-1-ol

trans-(1S,3R)-3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-2,2-dimethylcyclobutan-1-ol (PubChem CID 167861819) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is trans-(1S,3R)-3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3R)-3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-2,2-dimethylcyclobutan-1-ol
PubChem CID167861819
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Nametrans-(1S,3R)-3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-2,2-dimethylcyclobutan-1-ol
SMILESCCc1nnc(NC[C@@H]2C[C@H](O)C2(C)C)s1
InChIInChI=1S/C11H19N3OS/c1-4-9-13-14-10(16-9)12-6-7-5-8(15)11(7,2)3/h7-8,15H,4-6H2,1-3H3,(H,12,14)/t7-,8-/m0/s1
InChIKeyFTHSDYRPNBOSEE-YUMQZZPRSA-N
XLogP1.92
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1S,3R)-3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-2,2-dimethylcyclobutan-1-ol with MolForge

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Related Compounds

5-ethyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107647561
5-ethyl-N-[(5-methyloxolan-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107647956
5-ethyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 554185
5-ethyl-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 107647794
trans-(1R,3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 27146985
N-(2-cyclohexylethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648019
N-(2,2-dimethyl-1,3-dioxan-5-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648198
1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine
CID 107647807
[5-[(1-methylcyclopropyl)methylamino]-1,3,4-thiadiazol-2-yl]methanol
CID 127001248
5-ethyl-N-(1,3-thiazol-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 103933936
N-(2-adamantyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648069
N'-(5-ethyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine
CID 107647799

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of trans-(1S,3R)-3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-2,2-dimethylcyclobutan-1-ol (CID 167861819) is trans-(1S,3R)-3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for trans-(1S,3R)-3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for trans-(1S,3R)-3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-2,2-dimethylcyclobutan-1-ol is CCc1nnc(NC[C@@H]2C[C@H](O)C2(C)C)s1.
What is the InChIKey of trans-(1S,3R)-3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is FTHSDYRPNBOSEE-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-4-9-13-14-10(16-9)12-6-7-5-8(15)11(7,2)3/h7-8,15H,4-6H2,1-3H3,(H,12,14)/t7-,8-/m0/s1.
What are the key properties of trans-(1S,3R)-3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-2,2-dimethylcyclobutan-1-ol?
trans-(1S,3R)-3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-3-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 167861819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).