[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone

C18H26N4OS — CID 56741435

IUPAC[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCCc1cn[nH]c1C1CCCN(C(=O)c2sc(C(C)C)nc2C)C1
InChIInChI=1S/C18H26N4OS/c1-5-13-9-19-21-15(13)14-7-6-8-22(10-14)18(23)16-12(4)20-17(24-16)11(2)3/h9,11,14H,5-8,10H2,1-4H3,(H,19,21)
InChIKeyRMDHNTWEONTJOF-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.88
Rot. Bonds4

About [3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone

[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 56741435) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is [3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID56741435
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCCc1cn[nH]c1C1CCCN(C(=O)c2sc(C(C)C)nc2C)C1
InChIInChI=1S/C18H26N4OS/c1-5-13-9-19-21-15(13)14-7-6-8-22(10-14)18(23)16-12(4)20-17(24-16)11(2)3/h9,11,14H,5-8,10H2,1-4H3,(H,19,21)
InChIKeyRMDHNTWEONTJOF-UHFFFAOYSA-N
XLogP3.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone (CID 56741435) is [3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone is CCc1cn[nH]c1C1CCCN(C(=O)c2sc(C(C)C)nc2C)C1.
What is the InChIKey of [3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is RMDHNTWEONTJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-5-13-9-19-21-15(13)14-7-6-8-22(10-14)18(23)16-12(4)20-17(24-16)11(2)3/h9,11,14H,5-8,10H2,1-4H3,(H,19,21).
What are the key properties of [3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 346.50 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 56741435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).