(4-propylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone

C15H22N6OS — CID 52907366

IUPAC(4-propylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
SMILESCCCc1nnsc1C(=O)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C15H22N6OS/c1-2-4-13-14(23-18-17-13)15(22)20-10-7-19(8-11-20)9-12-21-6-3-5-16-21/h3,5-6H,2,4,7-12H2,1H3
InChIKeyBYPROVDIJFNFQH-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.15
Rot. Bonds6

About (4-propylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone

(4-propylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone (PubChem CID 52907366) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is (4-propylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-propylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
PubChem CID52907366
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name(4-propylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
SMILESCCCc1nnsc1C(=O)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C15H22N6OS/c1-2-4-13-14(23-18-17-13)15(22)20-10-7-19(8-11-20)9-12-21-6-3-5-16-21/h3,5-6H,2,4,7-12H2,1H3
InChIKeyBYPROVDIJFNFQH-UHFFFAOYSA-N
XLogP1.15
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 31849479
[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 53575263
(4-Ethylthiadiazol-5-yl)-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 56802273
4-propyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1,2,3-thiadiazole-5-carboxamide
CID 71808018
(4-Methyl-1,2,3-thiadiazol-5-yl){4-[(1-pyrazolyl)methyl]-1-piperidyl}methanone
CID 52906707
(4-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-1,4-diazepan-1-yl)(4-propyl-1,2,3-thiadiazol-5-yl)methanone
CID 86266959
(6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)(4-methyl-1,2,3-thiadiazol-5-yl)methanone
CID 121170563
4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide
CID 164637939
4-ethyl-N-(3-pyrazol-1-ylpropyl)thiadiazole-5-carboxamide
CID 43062495
1-[(4-ethyl-1,2,3-thiadiazol-5-yl)carbonyl]-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 56862003
5-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)pyrrolidin-1-yl]carbonyl}-4-propyl-1,2,3-thiadiazole
CID 91787174
(4-methyl-1,2,3-thiadiazol-5-yl)(3-(1-methyl-1H-pyrazol-3-yl)piperidin-1-yl)methanone
CID 121021041

Frequently Asked Questions

What is the IUPAC name of (4-propylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-propylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone (CID 52907366) is (4-propylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-propylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-propylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone is CCCc1nnsc1C(=O)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of (4-propylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
The InChIKey is BYPROVDIJFNFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-2-4-13-14(23-18-17-13)15(22)20-10-7-19(8-11-20)9-12-21-6-3-5-16-21/h3,5-6H,2,4,7-12H2,1H3.
What are the key properties of (4-propylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone?
(4-propylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone has a molecular weight of 334.45 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 52907366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).