N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-methylpyrazol-3-yl)propanamide

C19H25N5OS — CID 128861159

IUPACN-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-methylpyrazol-3-yl)propanamide
SMILESCC(C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccnn1C
InChIInChI=1S/C19H25N5OS/c1-11(15-3-4-20-24(15)2)16(25)21-18-23-22-17(26-18)19-8-12-5-13(9-19)7-14(6-12)10-19/h3-4,11-14H,5-10H2,1-2H3,(H,21,23,25)
InChIKeyBAVILOJMVASYNM-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.48
Rot. Bonds4

About N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-methylpyrazol-3-yl)propanamide

N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-methylpyrazol-3-yl)propanamide (PubChem CID 128861159) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-methylpyrazol-3-yl)propanamide
PubChem CID128861159
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC NameN-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-methylpyrazol-3-yl)propanamide
SMILESCC(C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccnn1C
InChIInChI=1S/C19H25N5OS/c1-11(15-3-4-20-24(15)2)16(25)21-18-23-22-17(26-18)19-8-12-5-13(9-19)7-14(6-12)10-19/h3-4,11-14H,5-10H2,1-2H3,(H,21,23,25)
InChIKeyBAVILOJMVASYNM-UHFFFAOYSA-N
XLogP3.48
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-methylpyrazol-3-yl)propanamide (CID 128861159) is N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-methylpyrazol-3-yl)propanamide is CC(C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccnn1C.
What is the InChIKey of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is BAVILOJMVASYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-11(15-3-4-20-24(15)2)16(25)21-18-23-22-17(26-18)19-8-12-5-13(9-19)7-14(6-12)10-19/h3-4,11-14H,5-10H2,1-2H3,(H,21,23,25).
What are the key properties of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-methylpyrazol-3-yl)propanamide?
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 371.51 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 128861159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).