4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide

C14H24N4OS — CID 95209726

IUPAC4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC[C@H]1CCCN(CC(C)C)C1
InChIInChI=1S/C14H24N4OS/c1-10(2)8-18-6-4-5-12(9-18)7-15-14(19)13-11(3)16-17-20-13/h10,12H,4-9H2,1-3H3,(H,15,19)/t12-/m1/s1
InChIKeyLHUHUMUCCUWVEO-GFCCVEGCSA-N
MW296.44 g/mol
LogP1.94
Rot. Bonds5

About 4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide

4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 95209726) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
PubChem CID95209726
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC[C@H]1CCCN(CC(C)C)C1
InChIInChI=1S/C14H24N4OS/c1-10(2)8-18-6-4-5-12(9-18)7-15-14(19)13-11(3)16-17-20-13/h10,12H,4-9H2,1-3H3,(H,15,19)/t12-/m1/s1
InChIKeyLHUHUMUCCUWVEO-GFCCVEGCSA-N
XLogP1.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide (CID 95209726) is 4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC[C@H]1CCCN(CC(C)C)C1.
What is the InChIKey of 4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is LHUHUMUCCUWVEO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-10(2)8-18-6-4-5-12(9-18)7-15-14(19)13-11(3)16-17-20-13/h10,12H,4-9H2,1-3H3,(H,15,19)/t12-/m1/s1.
What are the key properties of 4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide?
4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 95209726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).