N-[2-(4-methylpiperidin-1-yl)propyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

C16H26N6OS — CID 110620712

IUPACN-[2-(4-methylpiperidin-1-yl)propyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCc1nnc2sc(CCC(=O)NCC(C)N3CCC(C)CC3)nn12
InChIInChI=1S/C16H26N6OS/c1-11-6-8-21(9-7-11)12(2)10-17-14(23)4-5-15-20-22-13(3)18-19-16(22)24-15/h11-12H,4-10H2,1-3H3,(H,17,23)
InChIKeyAWMBDAUYGQGPFV-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.66
Rot. Bonds6

About N-[2-(4-methylpiperidin-1-yl)propyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

N-[2-(4-methylpiperidin-1-yl)propyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110620712) has the molecular formula C16H26N6OS and a molecular weight of 350.49 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)propyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)propyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110620712
Molecular FormulaC16H26N6OS
Molecular Weight350.49 g/mol
Exact Mass350.19
IUPAC NameN-[2-(4-methylpiperidin-1-yl)propyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCc1nnc2sc(CCC(=O)NCC(C)N3CCC(C)CC3)nn12
InChIInChI=1S/C16H26N6OS/c1-11-6-8-21(9-7-11)12(2)10-17-14(23)4-5-15-20-22-13(3)18-19-16(22)24-15/h11-12H,4-10H2,1-3H3,(H,17,23)
InChIKeyAWMBDAUYGQGPFV-UHFFFAOYSA-N
XLogP1.66
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110427112
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110408494
N-(4,4-dimethylpentyl)-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
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3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]propanamide
CID 94798908
3-methyl-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]butanamide
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ethyl 4-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperazine-1-carboxylate
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N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]butanamide
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2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 120704077
7-amino-N-[2-(4-methylpiperidin-1-yl)propyl]heptanamide;dihydrochloride
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(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]butanamide
CID 92602996
N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trimethoxyphenyl)propanamide
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N-(4-bromophenyl)-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)propyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)propyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110620712) is N-[2-(4-methylpiperidin-1-yl)propyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)propyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)propyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is Cc1nnc2sc(CCC(=O)NCC(C)N3CCC(C)CC3)nn12.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)propyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is AWMBDAUYGQGPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6OS/c1-11-6-8-21(9-7-11)12(2)10-17-14(23)4-5-15-20-22-13(3)18-19-16(22)24-15/h11-12H,4-10H2,1-3H3,(H,17,23).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)propyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-[2-(4-methylpiperidin-1-yl)propyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 350.49 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)propyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110620712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).