N-[6-[1-[(6-methoxy-1-methylindol-3-yl)methyl]piperidin-4-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine

C24H28N6OS — CID 95836118

IUPACN-[6-[1-[(6-methoxy-1-methylindol-3-yl)methyl]piperidin-4-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc2c(CN3CCC(c4cccc(Nc5nnc(C)s5)n4)CC3)cn(C)c2c1
InChIInChI=1S/C24H28N6OS/c1-16-27-28-24(32-16)26-23-6-4-5-21(25-23)17-9-11-30(12-10-17)15-18-14-29(2)22-13-19(31-3)7-8-20(18)22/h4-8,13-14,17H,9-12,15H2,1-3H3,(H,25,26,28)
InChIKeyBAWYDMCBXHFGFA-UHFFFAOYSA-N
MW448.60 g/mol
LogP4.87
Rot. Bonds6

About N-[6-[1-[(6-methoxy-1-methylindol-3-yl)methyl]piperidin-4-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine

N-[6-[1-[(6-methoxy-1-methylindol-3-yl)methyl]piperidin-4-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 95836118) has the molecular formula C24H28N6OS and a molecular weight of 448.60 g/mol. Its IUPAC name is N-[6-[1-[(6-methoxy-1-methylindol-3-yl)methyl]piperidin-4-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[6-[1-[(6-methoxy-1-methylindol-3-yl)methyl]piperidin-4-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID95836118
Molecular FormulaC24H28N6OS
Molecular Weight448.60 g/mol
Exact Mass448.20
IUPAC NameN-[6-[1-[(6-methoxy-1-methylindol-3-yl)methyl]piperidin-4-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc2c(CN3CCC(c4cccc(Nc5nnc(C)s5)n4)CC3)cn(C)c2c1
InChIInChI=1S/C24H28N6OS/c1-16-27-28-24(32-16)26-23-6-4-5-21(25-23)17-9-11-30(12-10-17)15-18-14-29(2)22-13-19(31-3)7-8-20(18)22/h4-8,13-14,17H,9-12,15H2,1-3H3,(H,25,26,28)
InChIKeyBAWYDMCBXHFGFA-UHFFFAOYSA-N
XLogP4.87
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.60
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[(6-methoxy-1-methylindol-3-yl)methyl]piperidin-4-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[6-[1-[(6-methoxy-1-methylindol-3-yl)methyl]piperidin-4-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 95836118) is N-[6-[1-[(6-methoxy-1-methylindol-3-yl)methyl]piperidin-4-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[6-[1-[(6-methoxy-1-methylindol-3-yl)methyl]piperidin-4-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[6-[1-[(6-methoxy-1-methylindol-3-yl)methyl]piperidin-4-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine is COc1ccc2c(CN3CCC(c4cccc(Nc5nnc(C)s5)n4)CC3)cn(C)c2c1.
What is the InChIKey of N-[6-[1-[(6-methoxy-1-methylindol-3-yl)methyl]piperidin-4-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BAWYDMCBXHFGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6OS/c1-16-27-28-24(32-16)26-23-6-4-5-21(25-23)17-9-11-30(12-10-17)15-18-14-29(2)22-13-19(31-3)7-8-20(18)22/h4-8,13-14,17H,9-12,15H2,1-3H3,(H,25,26,28).
What are the key properties of N-[6-[1-[(6-methoxy-1-methylindol-3-yl)methyl]piperidin-4-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[6-[1-[(6-methoxy-1-methylindol-3-yl)methyl]piperidin-4-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 448.60 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[(6-methoxy-1-methylindol-3-yl)methyl]piperidin-4-yl]-2-pyridinyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 95836118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).