[3-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone

C17H23N5OS — CID 56754467

IUPAC[3-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(CN2CCCC2)s1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C17H23N5OS/c23-17(15-10-18-16(24-15)12-21-7-1-2-8-21)22-9-3-4-13(11-22)14-5-6-19-20-14/h5-6,10,13H,1-4,7-9,11-12H2,(H,19,20)
InChIKeyNBPRWPAKRITGCH-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.48
Rot. Bonds4

About [3-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone

[3-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 56754467) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is [3-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[3-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
PubChem CID56754467
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name[3-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(CN2CCCC2)s1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C17H23N5OS/c23-17(15-10-18-16(24-15)12-21-7-1-2-8-21)22-9-3-4-13(11-22)14-5-6-19-20-14/h5-6,10,13H,1-4,7-9,11-12H2,(H,19,20)
InChIKeyNBPRWPAKRITGCH-UHFFFAOYSA-N
XLogP2.48
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [3-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone (CID 56754467) is [3-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [3-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [3-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(CN2CCCC2)s1)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of [3-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is NBPRWPAKRITGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c23-17(15-10-18-16(24-15)12-21-7-1-2-8-21)22-9-3-4-13(11-22)14-5-6-19-20-14/h5-6,10,13H,1-4,7-9,11-12H2,(H,19,20).
What are the key properties of [3-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone?
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 345.47 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-pyrazol-5-yl)piperidin-1-yl]-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 56754467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).