3-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-methyl-1,2,4-thiadiazol-5-amine

C12H17N5S — CID 133376676

IUPAC3-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCN(CCCn1ccnc1)c1nc(C2CC2)ns1
InChIInChI=1S/C12H17N5S/c1-16(6-2-7-17-8-5-13-9-17)12-14-11(15-18-12)10-3-4-10/h5,8-10H,2-4,6-7H2,1H3
InChIKeyZKASUFGXSYRTLW-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.14
Rot. Bonds6

About 3-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-methyl-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 133376676) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID133376676
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name3-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCN(CCCn1ccnc1)c1nc(C2CC2)ns1
InChIInChI=1S/C12H17N5S/c1-16(6-2-7-17-8-5-13-9-17)12-14-11(15-18-12)10-3-4-10/h5,8-10H,2-4,6-7H2,1H3
InChIKeyZKASUFGXSYRTLW-UHFFFAOYSA-N
XLogP2.14
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid
CID 65272940
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butan-2-ol
CID 115681060
N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine
CID 133376553
2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylcyclohexan-1-amine
CID 102637243
3-cyclopropyl-N-methyl-N-(thiophen-3-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 133358527
N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 131179833
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine
CID 133472744
1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
CID 65275225
2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine
CID 75435415
3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine
CID 133335553
1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol
CID 62334128

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-methyl-1,2,4-thiadiazol-5-amine (CID 133376676) is 3-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-methyl-1,2,4-thiadiazol-5-amine is CN(CCCn1ccnc1)c1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZKASUFGXSYRTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-16(6-2-7-17-8-5-13-9-17)12-14-11(15-18-12)10-3-4-10/h5,8-10H,2-4,6-7H2,1H3.
What are the key properties of 3-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-methyl-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 263.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133376676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).