N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide

C16H26N4O2S — CID 162637600

IUPACN-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)C(=O)N1CCC(CNC(=O)c2snnc2C(C)C)CC1
InChIInChI=1S/C16H26N4O2S/c1-10(2)13-14(23-19-18-13)15(21)17-9-12-5-7-20(8-6-12)16(22)11(3)4/h10-12H,5-9H2,1-4H3,(H,17,21)
InChIKeySMSSERKTPCCFSK-UHFFFAOYSA-N
MW338.48 g/mol
LogP2.29
Rot. Bonds5

About N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide

N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 162637600) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID162637600
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)C(=O)N1CCC(CNC(=O)c2snnc2C(C)C)CC1
InChIInChI=1S/C16H26N4O2S/c1-10(2)13-14(23-19-18-13)15(21)17-9-12-5-7-20(8-6-12)16(22)11(3)4/h10-12H,5-9H2,1-4H3,(H,17,21)
InChIKeySMSSERKTPCCFSK-UHFFFAOYSA-N
XLogP2.29
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-4-propylthiadiazole-5-carboxamide
CID 121020456
N-cyclopropyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204623
[4-(2-bromoethoxy)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 82701844
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 107389756
N-[2-(2-hydroxypropylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 113430435
N-(2-cyanoethyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204219
4-ethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiadiazole-5-carboxamide
CID 47082393
N-(3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204185
N-(2-amino-2-sulfanylideneethyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204663
N-[3-(methylamino)propyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204488
N-[2-(ethylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204345
4-ethyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 95221676

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide (CID 162637600) is N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)C(=O)N1CCC(CNC(=O)c2snnc2C(C)C)CC1.
What is the InChIKey of N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is SMSSERKTPCCFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-10(2)13-14(23-19-18-13)15(21)17-9-12-5-7-20(8-6-12)16(22)11(3)4/h10-12H,5-9H2,1-4H3,(H,17,21).
What are the key properties of N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide?
N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 162637600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).