N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C17H28N6S — CID 129004327

IUPACN-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1
InChIInChI=1S/C17H28N6S/c1-12(2)16-19-17(24-20-16)22(4)10-13-7-6-8-21(3)15(13)14-9-18-23(5)11-14/h9,11-13,15H,6-8,10H2,1-5H3/t13-,15+/m0/s1
InChIKeyGTRJJELCTOMQKZ-DZGCQCFKSA-N
MW348.52 g/mol
LogP2.91
Rot. Bonds5

About N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 129004327) has the molecular formula C17H28N6S and a molecular weight of 348.52 g/mol. Its IUPAC name is N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID129004327
Molecular FormulaC17H28N6S
Molecular Weight348.52 g/mol
Exact Mass348.21
IUPAC NameN-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1
InChIInChI=1S/C17H28N6S/c1-12(2)16-19-17(24-20-16)22(4)10-13-7-6-8-21(3)15(13)14-9-18-23(5)11-14/h9,11-13,15H,6-8,10H2,1-5H3/t13-,15+/m0/s1
InChIKeyGTRJJELCTOMQKZ-DZGCQCFKSA-N
XLogP2.91
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 129004327) is N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1.
What is the InChIKey of N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is GTRJJELCTOMQKZ-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H28N6S/c1-12(2)16-19-17(24-20-16)22(4)10-13-7-6-8-21(3)15(13)14-9-18-23(5)11-14/h9,11-13,15H,6-8,10H2,1-5H3/t13-,15+/m0/s1.
What are the key properties of N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 348.52 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 129004327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).