[1-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-yl]methanamine

C18H22ClN5S — CID 139440590

IUPAC[1-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-yl]methanamine
SMILESCc1c(-c2ccccc2Cl)nc2sc(N3CCC(C)(CN)CC3)nn12
InChIInChI=1S/C18H22ClN5S/c1-12-15(13-5-3-4-6-14(13)19)21-16-24(12)22-17(25-16)23-9-7-18(2,11-20)8-10-23/h3-6H,7-11,20H2,1-2H3
InChIKeyMWYHKGJECFPMIH-UHFFFAOYSA-N
MW375.93 g/mol
LogP3.98
Rot. Bonds3

About [1-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-yl]methanamine

[1-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-yl]methanamine (PubChem CID 139440590) has the molecular formula C18H22ClN5S and a molecular weight of 375.93 g/mol. Its IUPAC name is [1-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-yl]methanamine
PubChem CID139440590
Molecular FormulaC18H22ClN5S
Molecular Weight375.93 g/mol
Exact Mass375.13
IUPAC Name[1-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-yl]methanamine
SMILESCc1c(-c2ccccc2Cl)nc2sc(N3CCC(C)(CN)CC3)nn12
InChIInChI=1S/C18H22ClN5S/c1-12-15(13-5-3-4-6-14(13)19)21-16-24(12)22-17(25-16)23-9-7-18(2,11-20)8-10-23/h3-6H,7-11,20H2,1-2H3
InChIKeyMWYHKGJECFPMIH-UHFFFAOYSA-N
XLogP3.98
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.93
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-yl]methanamine?
The IUPAC name of [1-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-yl]methanamine (CID 139440590) is [1-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-yl]methanamine is Cc1c(-c2ccccc2Cl)nc2sc(N3CCC(C)(CN)CC3)nn12.
What is the InChIKey of [1-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-yl]methanamine?
The InChIKey is MWYHKGJECFPMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5S/c1-12-15(13-5-3-4-6-14(13)19)21-16-24(12)22-17(25-16)23-9-7-18(2,11-20)8-10-23/h3-6H,7-11,20H2,1-2H3.
What are the key properties of [1-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-yl]methanamine?
[1-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-yl]methanamine has a molecular weight of 375.93 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(2-chlorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 139440590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).