[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

C17H25N5OS — CID 52906718

IUPAC[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(Cn2nc(C)cc2C)CC1
InChIInChI=1S/C17H25N5OS/c1-4-5-15-16(24-20-18-15)17(23)21-8-6-14(7-9-21)11-22-13(3)10-12(2)19-22/h10,14H,4-9,11H2,1-3H3
InChIKeyVBYVXXODYRBLNP-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.86
Rot. Bonds5

About [4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 52906718) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is [4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID52906718
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(Cn2nc(C)cc2C)CC1
InChIInChI=1S/C17H25N5OS/c1-4-5-15-16(24-20-18-15)17(23)21-8-6-14(7-9-21)11-22-13(3)10-12(2)19-22/h10,14H,4-9,11H2,1-3H3
InChIKeyVBYVXXODYRBLNP-UHFFFAOYSA-N
XLogP2.86
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (CID 52906718) is [4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCC(Cn2nc(C)cc2C)CC1.
What is the InChIKey of [4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is VBYVXXODYRBLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-4-5-15-16(24-20-18-15)17(23)21-8-6-14(7-9-21)11-22-13(3)10-12(2)19-22/h10,14H,4-9,11H2,1-3H3.
What are the key properties of [4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 347.49 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 52906718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).