[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C13H17N5OS — CID 121021041

IUPAC[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC(c2ccn(C)n2)C1
InChIInChI=1S/C13H17N5OS/c1-9-12(20-16-14-9)13(19)18-6-3-4-10(8-18)11-5-7-17(2)15-11/h5,7,10H,3-4,6,8H2,1-2H3
InChIKeyIVCGESIVPXSROU-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.60
Rot. Bonds2

About [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 121021041) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID121021041
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC(c2ccn(C)n2)C1
InChIInChI=1S/C13H17N5OS/c1-9-12(20-16-14-9)13(19)18-6-3-4-10(8-18)11-5-7-17(2)15-11/h5,7,10H,3-4,6,8H2,1-2H3
InChIKeyIVCGESIVPXSROU-UHFFFAOYSA-N
XLogP1.60
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Methyl-1,2,3-thiadiazol-5-yl){4-[(1-pyrazolyl)methyl]-1-piperidyl}methanone
CID 52906707
(4-(2-(1H-pyrazol-1-yl)ethyl)piperazin-1-yl)(4-propyl-1,2,3-thiadiazol-5-yl)methanone
CID 52907366
4-propyl-N-((4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methyl)-1,2,3-thiadiazole-5-carboxamide
CID 91629659
N-cyclopentyl-N-[(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 86266488
1-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 164634670
4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide
CID 164637939
1-[(4-ethyl-1,2,3-thiadiazol-5-yl)carbonyl]-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 56862003
(2,4-dimethylthiazol-5-yl)(3-(1-methyl-1H-pyrazol-3-yl)piperidin-1-yl)methanone
CID 119103871
N-[(1-benzylpyrazol-4-yl)methyl]-4-ethyl-N-methylthiadiazole-5-carboxamide
CID 35613107
(4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)piperidin-1-yl)(4-propyl-1,2,3-thiadiazol-5-yl)methanone
CID 52906718
1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-3-(1H-pyrazol-5-yl)piperidine
CID 56751754
(4-Ethylthiadiazol-5-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 56778868

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 121021041) is [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCCC(c2ccn(C)n2)C1.
What is the InChIKey of [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is IVCGESIVPXSROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-9-12(20-16-14-9)13(19)18-6-3-4-10(8-18)11-5-7-17(2)15-11/h5,7,10H,3-4,6,8H2,1-2H3.
What are the key properties of [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 291.38 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 121021041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).