3-methyl-N-(thiadiazol-4-ylmethyl)azetidine-3-carboxamide

C8H12N4OS — CID 130900473

IUPAC3-methyl-N-(thiadiazol-4-ylmethyl)azetidine-3-carboxamide
SMILESCC1(C(=O)NCc2csnn2)CNC1
InChIInChI=1S/C8H12N4OS/c1-8(4-9-5-8)7(13)10-2-6-3-14-12-11-6/h3,9H,2,4-5H2,1H3,(H,10,13)
InChIKeyAODOBOZBQQILCO-UHFFFAOYSA-N
MW212.28 g/mol
LogP-0.24
Rot. Bonds3

About 3-methyl-N-(thiadiazol-4-ylmethyl)azetidine-3-carboxamide

3-methyl-N-(thiadiazol-4-ylmethyl)azetidine-3-carboxamide (PubChem CID 130900473) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 3-methyl-N-(thiadiazol-4-ylmethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(thiadiazol-4-ylmethyl)azetidine-3-carboxamide
PubChem CID130900473
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name3-methyl-N-(thiadiazol-4-ylmethyl)azetidine-3-carboxamide
SMILESCC1(C(=O)NCc2csnn2)CNC1
InChIInChI=1S/C8H12N4OS/c1-8(4-9-5-8)7(13)10-2-6-3-14-12-11-6/h3,9H,2,4-5H2,1H3,(H,10,13)
InChIKeyAODOBOZBQQILCO-UHFFFAOYSA-N
XLogP-0.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-2-methyl-N-(thiadiazol-4-ylmethyl)propanamide
CID 131097805
2-methyl-N-[2-(thiadiazol-4-ylmethylamino)ethyl]propanamide
CID 43663987
1-Pyrrolidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one
CID 43663995
N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide
CID 43664056
N-methyl-2-(thiadiazol-4-ylmethylamino)acetamide
CID 43664132
N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)acetamide
CID 43664133
3-(Thiadiazol-4-ylmethylamino)propanamide
CID 43664154
N-ethyl-2-(thiadiazol-4-ylmethylamino)acetamide
CID 43664157
N-propyl-2-(thiadiazol-4-ylmethylamino)acetamide
CID 43664158
N-propan-2-yl-2-(thiadiazol-4-ylmethylamino)acetamide
CID 43664159
N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)propanamide
CID 43664162
N-ethyl-2-(thiadiazol-4-ylmethylamino)propanamide
CID 43664163

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(thiadiazol-4-ylmethyl)azetidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(thiadiazol-4-ylmethyl)azetidine-3-carboxamide (CID 130900473) is 3-methyl-N-(thiadiazol-4-ylmethyl)azetidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(thiadiazol-4-ylmethyl)azetidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(thiadiazol-4-ylmethyl)azetidine-3-carboxamide is CC1(C(=O)NCc2csnn2)CNC1.
What is the InChIKey of 3-methyl-N-(thiadiazol-4-ylmethyl)azetidine-3-carboxamide?
The InChIKey is AODOBOZBQQILCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-8(4-9-5-8)7(13)10-2-6-3-14-12-11-6/h3,9H,2,4-5H2,1H3,(H,10,13).
What are the key properties of 3-methyl-N-(thiadiazol-4-ylmethyl)azetidine-3-carboxamide?
3-methyl-N-(thiadiazol-4-ylmethyl)azetidine-3-carboxamide has a molecular weight of 212.28 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(thiadiazol-4-ylmethyl)azetidine-3-carboxamide is sourced from PubChem (CID 130900473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).