2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide

C16H25N7OS — CID 128995147

IUPAC2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1nncs1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1
InChIInChI=1S/C16H25N7OS/c1-21(10-14(24)19-16-20-17-11-25-16)8-12-5-4-6-22(2)15(12)13-7-18-23(3)9-13/h7,9,11-12,15H,4-6,8,10H2,1-3H3,(H,19,20,24)/t12-,15+/m0/s1
InChIKeyINQGDOGSOIRURN-SWLSCSKDSA-N
MW363.49 g/mol
LogP1.23
Rot. Bonds6

About 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 128995147) has the molecular formula C16H25N7OS and a molecular weight of 363.49 g/mol. Its IUPAC name is 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID128995147
Molecular FormulaC16H25N7OS
Molecular Weight363.49 g/mol
Exact Mass363.18
IUPAC Name2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1nncs1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1
InChIInChI=1S/C16H25N7OS/c1-21(10-14(24)19-16-20-17-11-25-16)8-12-5-4-6-22(2)15(12)13-7-18-23(3)9-13/h7,9,11-12,15H,4-6,8,10H2,1-3H3,(H,19,20,24)/t12-,15+/m0/s1
InChIKeyINQGDOGSOIRURN-SWLSCSKDSA-N
XLogP1.23
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone
CID 129004021
N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]but-2-en-1-amine
CID 128994586
N-[3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]propyl]methanesulfonamide
CID 128998327
N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiophene-3-carboxamide
CID 128995979
(2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide
CID 129340191
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-pyridin-3-ylurea
CID 128996441
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129340224
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)urea
CID 128965369
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
CID 129329250
4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 128998259
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]acetamide
CID 129332452
2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine
CID 128998321

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 128995147) is 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide is CN(CC(=O)Nc1nncs1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1.
What is the InChIKey of 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is INQGDOGSOIRURN-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H25N7OS/c1-21(10-14(24)19-16-20-17-11-25-16)8-12-5-4-6-22(2)15(12)13-7-18-23(3)9-13/h7,9,11-12,15H,4-6,8,10H2,1-3H3,(H,19,20,24)/t12-,15+/m0/s1.
What are the key properties of 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 363.49 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 128995147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).