[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone

C17H26N6OS — CID 90508854

IUPAC[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCN(CCn2nc(C)cc2C)CC1
InChIInChI=1S/C17H26N6OS/c1-4-5-15-16(25-20-18-15)17(24)22-9-6-21(7-10-22)8-11-23-14(3)12-13(2)19-23/h12H,4-11H2,1-3H3
InChIKeyFFZAVYLMAJWQOU-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.76
Rot. Bonds6

About [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone

[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 90508854) has the molecular formula C17H26N6OS and a molecular weight of 362.50 g/mol. Its IUPAC name is [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID90508854
Molecular FormulaC17H26N6OS
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC Name[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCN(CCn2nc(C)cc2C)CC1
InChIInChI=1S/C17H26N6OS/c1-4-5-15-16(25-20-18-15)17(24)22-9-6-21(7-10-22)8-11-23-14(3)12-13(2)19-23/h12H,4-11H2,1-3H3
InChIKeyFFZAVYLMAJWQOU-UHFFFAOYSA-N
XLogP1.76
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 65206219
(5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 52907395
[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 122337944
[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 90508799
[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,4-diazepan-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 71790579
(3-chlorophenyl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 52907382
[4-(2-bromoethyl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 80660823
(4-tert-butylphenyl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,4-diazepan-1-yl]methanone;hydrochloride
CID 71790581
(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207991
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 90533329
(4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65205088
(4-ethylthiadiazol-5-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95353960

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone (CID 90508854) is [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCN(CCn2nc(C)cc2C)CC1.
What is the InChIKey of [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is FFZAVYLMAJWQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6OS/c1-4-5-15-16(25-20-18-15)17(24)22-9-6-21(7-10-22)8-11-23-14(3)12-13(2)19-23/h12H,4-11H2,1-3H3.
What are the key properties of [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 362.50 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 90508854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).