methyl 1-[[(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]cyclopropane-1-carboxylate

C15H20N4O2S — CID 133498550

IUPACmethyl 1-[[(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CNc2nn3cc(C4CCCC4)nc3s2)CC1
InChIInChI=1S/C15H20N4O2S/c1-21-12(20)15(6-7-15)9-16-13-18-19-8-11(17-14(19)22-13)10-4-2-3-5-10/h8,10H,2-7,9H2,1H3,(H,16,18)
InChIKeyQXGGMQISPNRQCI-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.81
Rot. Bonds5

About methyl 1-[[(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]cyclopropane-1-carboxylate

methyl 1-[[(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]cyclopropane-1-carboxylate (PubChem CID 133498550) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is methyl 1-[[(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]cyclopropane-1-carboxylate
PubChem CID133498550
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Namemethyl 1-[[(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(CNc2nn3cc(C4CCCC4)nc3s2)CC1
InChIInChI=1S/C15H20N4O2S/c1-21-12(20)15(6-7-15)9-16-13-18-19-8-11(17-14(19)22-13)10-4-2-3-5-10/h8,10H,2-7,9H2,1H3,(H,16,18)
InChIKeyQXGGMQISPNRQCI-UHFFFAOYSA-N
XLogP2.81
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 1-[[(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]cyclopropane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[[(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]cyclopropane-1-carboxylate (CID 133498550) is methyl 1-[[(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[[(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[[(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]cyclopropane-1-carboxylate is COC(=O)C1(CNc2nn3cc(C4CCCC4)nc3s2)CC1.
What is the InChIKey of methyl 1-[[(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]cyclopropane-1-carboxylate?
The InChIKey is QXGGMQISPNRQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-21-12(20)15(6-7-15)9-16-13-18-19-8-11(17-14(19)22-13)10-4-2-3-5-10/h8,10H,2-7,9H2,1H3,(H,16,18).
What are the key properties of methyl 1-[[(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]cyclopropane-1-carboxylate?
methyl 1-[[(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]cyclopropane-1-carboxylate has a molecular weight of 320.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[(6-cyclopentylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 133498550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).