4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide

C17H26N6OS — CID 128998259

IUPAC4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1
InChIInChI=1S/C17H26N6OS/c1-5-14-16(25-20-19-14)17(24)22(3)10-12-7-6-8-21(2)15(12)13-9-18-23(4)11-13/h9,11-12,15H,5-8,10H2,1-4H3/t12-,15+/m0/s1
InChIKeyFZKOJCNQFQLRTE-SWLSCSKDSA-N
MW362.50 g/mol
LogP1.99
Rot. Bonds5

About 4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide

4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 128998259) has the molecular formula C17H26N6OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
PubChem CID128998259
Molecular FormulaC17H26N6OS
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC Name4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1
InChIInChI=1S/C17H26N6OS/c1-5-14-16(25-20-19-14)17(24)22(3)10-12-7-6-8-21(2)15(12)13-9-18-23(4)11-13/h9,11-12,15H,5-8,10H2,1-4H3/t12-,15+/m0/s1
InChIKeyFZKOJCNQFQLRTE-SWLSCSKDSA-N
XLogP1.99
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide (CID 128998259) is 4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1.
What is the InChIKey of 4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is FZKOJCNQFQLRTE-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H26N6OS/c1-5-14-16(25-20-19-14)17(24)22(3)10-12-7-6-8-21(2)15(12)13-9-18-23(4)11-13/h9,11-12,15H,5-8,10H2,1-4H3/t12-,15+/m0/s1.
What are the key properties of 4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide?
4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 128998259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).