N-[6-[[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

C16H20N8S — CID 124965942

About N-[6-[[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

N-[6-[[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 124965942) has the molecular formula C16H20N8S and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[6-[[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: N-[6-[[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
• PubChem CID: 124965942
• Molecular Formula: C16H20N8S
• Molecular Weight: 356.46 g/mol
• Exact Mass: 356.15
• IUPAC Name: N-[6-[[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
• SMILES: c1cc(CN2CCC[C@@H](Cc3cc(Nc4nncs4)ncn3)C2)[nH]n1
• InChI: InChI=1S/C16H20N8S/c1-2-12(8-24(5-1)9-13-3-4-19-22-13)6-14-7-15(18-10-17-14)21-16-23-20-11-25-16/h3-4,7,10-12H,1-2,5-6,8-9H2,(H,19,22)(H,17,18,21,23)/t12-/m0/s1
• InChIKey: IINZGOFLKHBUSO-LBPRGKRZSA-N
• XLogP: 2.25
• TPSA: 95.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.46
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?

The IUPAC name of N-[6-[[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine (CID 124965942) is N-[6-[[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for N-[6-[[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?

The canonical SMILES for N-[6-[[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is c1cc(CN2CCC[C@@H](Cc3cc(Nc4nncs4)ncn3)C2)[nH]n1.

What is the InChIKey of N-[6-[[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?

The InChIKey is IINZGOFLKHBUSO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N8S/c1-2-12(8-24(5-1)9-13-3-4-19-22-13)6-14-7-15(18-10-17-14)21-16-23-20-11-25-16/h3-4,7,10-12H,1-2,5-6,8-9H2,(H,19,22)(H,17,18,21,23)/t12-/m0/s1.

What are the key properties of N-[6-[[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?

N-[6-[[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 356.46 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 124965942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).