4-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine

C9H13N5S — CID 79737968

IUPAC4-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCCn1ccnc1Cc1nsnc1NC
InChIInChI=1S/C9H13N5S/c1-3-14-5-4-11-8(14)6-7-9(10-2)13-15-12-7/h4-5H,3,6H2,1-2H3,(H,10,13)
InChIKeyWMPJDIWMHJNJEF-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.39
Rot. Bonds4

About 4-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine

4-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine (PubChem CID 79737968) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is 4-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine
PubChem CID79737968
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name4-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCCn1ccnc1Cc1nsnc1NC
InChIInChI=1S/C9H13N5S/c1-3-14-5-4-11-8(14)6-7-9(10-2)13-15-12-7/h4-5H,3,6H2,1-2H3,(H,10,13)
InChIKeyWMPJDIWMHJNJEF-UHFFFAOYSA-N
XLogP1.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-6-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-4-amine
CID 80976414
2-[(1-ethylimidazol-2-yl)methyl]pyridin-3-ol
CID 83129951
N-ethyl-6-[(1-ethylimidazol-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 79738464
6-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethylpyrimidin-4-amine
CID 79737865
1-[4-[(1-ethylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738325
1-ethyl-2-(iodomethyl)imidazole
CID 64786618
3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79762047
[2-[(1-ethylimidazol-2-yl)methyl]-4-pyridinyl]hydrazine
CID 102825315
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79738825
5-[(1-ethylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 79737828
4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-5-propan-2-ylpyrimidine
CID 79737955
3-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 64666437

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine (CID 79737968) is 4-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine is CCn1ccnc1Cc1nsnc1NC.
What is the InChIKey of 4-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine?
The InChIKey is WMPJDIWMHJNJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-3-14-5-4-11-8(14)6-7-9(10-2)13-15-12-7/h4-5H,3,6H2,1-2H3,(H,10,13).
What are the key properties of 4-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine?
4-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine has a molecular weight of 223.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 79737968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).