2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine

C16H18Cl2N6S — CID 139440699

IUPAC2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESCC1(N)CCCN(c2nn3c(N)c(-c4cccc(Cl)c4Cl)nc3s2)C1
InChIInChI=1S/C16H18Cl2N6S/c1-16(20)6-3-7-23(8-16)15-22-24-13(19)12(21-14(24)25-15)9-4-2-5-10(17)11(9)18/h2,4-5H,3,6-8,19-20H2,1H3
InChIKeyIPCRMDIAMLPJMD-UHFFFAOYSA-N
MW397.34 g/mol
LogP3.66
Rot. Bonds2

About 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine

2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine (PubChem CID 139440699) has the molecular formula C16H18Cl2N6S and a molecular weight of 397.34 g/mol. Its IUPAC name is 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine.

Molecular Properties

Compound Name2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
PubChem CID139440699
Molecular FormulaC16H18Cl2N6S
Molecular Weight397.34 g/mol
Exact Mass396.07
IUPAC Name2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
SMILESCC1(N)CCCN(c2nn3c(N)c(-c4cccc(Cl)c4Cl)nc3s2)C1
InChIInChI=1S/C16H18Cl2N6S/c1-16(20)6-3-7-23(8-16)15-22-24-13(19)12(21-14(24)25-15)9-4-2-5-10(17)11(9)18/h2,4-5H,3,6-8,19-20H2,1H3
InChIKeyIPCRMDIAMLPJMD-UHFFFAOYSA-N
XLogP3.66
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The IUPAC name of 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine (CID 139440699) is 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine.
What is the SMILES notation for 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The canonical SMILES for 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine is CC1(N)CCCN(c2nn3c(N)c(-c4cccc(Cl)c4Cl)nc3s2)C1.
What is the InChIKey of 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
The InChIKey is IPCRMDIAMLPJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N6S/c1-16(20)6-3-7-23(8-16)15-22-24-13(19)12(21-14(24)25-15)9-4-2-5-10(17)11(9)18/h2,4-5H,3,6-8,19-20H2,1H3.
What are the key properties of 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine?
2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine has a molecular weight of 397.34 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-3-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine is sourced from PubChem (CID 139440699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).