4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine

C11H17N5S — CID 55065032

IUPAC4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1Cn1cnc(C)c1C
InChIInChI=1S/C11H17N5S/c1-4-5-12-11-10(14-15-17-11)6-16-7-13-8(2)9(16)3/h7,12H,4-6H2,1-3H3
InChIKeyWZJIPFDXGMUNMY-UHFFFAOYSA-N
MW251.36 g/mol
LogP2.22
Rot. Bonds5

About 4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine

4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine (PubChem CID 55065032) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine
PubChem CID55065032
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1Cn1cnc(C)c1C
InChIInChI=1S/C11H17N5S/c1-4-5-12-11-10(14-15-17-11)6-16-7-13-8(2)9(16)3/h7,12H,4-6H2,1-3H3
InChIKeyWZJIPFDXGMUNMY-UHFFFAOYSA-N
XLogP2.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685475
1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione
CID 62209214
2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80654507
1-[[5-(propylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280257
1-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 62209223
1-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,3-dione
CID 62209524
4-[(5-fluoro-2-methylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 102984989
N-propyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]thiadiazol-5-amine
CID 103290199
4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 62195666
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 83222159
4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine
CID 102925840
4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N-propylthiadiazol-5-amine
CID 55045006

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine (CID 55065032) is 4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1Cn1cnc(C)c1C.
What is the InChIKey of 4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine?
The InChIKey is WZJIPFDXGMUNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-4-5-12-11-10(14-15-17-11)6-16-7-13-8(2)9(16)3/h7,12H,4-6H2,1-3H3.
What are the key properties of 4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine?
4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine has a molecular weight of 251.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 55065032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).