[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone

C17H24N4O2S — CID 72842525

IUPAC[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C(C)C)sc1C(=O)N1CCC(O)(Cn2ccnc2)CC1
InChIInChI=1S/C17H24N4O2S/c1-12(2)15-19-13(3)14(24-15)16(22)21-7-4-17(23,5-8-21)10-20-9-6-18-11-20/h6,9,11-12,23H,4-5,7-8,10H2,1-3H3
InChIKeyUQTCPIKEDYVOKP-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.44
Rot. Bonds4

About [4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone

[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 72842525) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is [4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID72842525
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C(C)C)sc1C(=O)N1CCC(O)(Cn2ccnc2)CC1
InChIInChI=1S/C17H24N4O2S/c1-12(2)15-19-13(3)14(24-15)16(22)21-7-4-17(23,5-8-21)10-20-9-6-18-11-20/h6,9,11-12,23H,4-5,7-8,10H2,1-3H3
InChIKeyUQTCPIKEDYVOKP-UHFFFAOYSA-N
XLogP2.44
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone (CID 72842525) is [4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone is Cc1nc(C(C)C)sc1C(=O)N1CCC(O)(Cn2ccnc2)CC1.
What is the InChIKey of [4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is UQTCPIKEDYVOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12(2)15-19-13(3)14(24-15)16(22)21-7-4-17(23,5-8-21)10-20-9-6-18-11-20/h6,9,11-12,23H,4-5,7-8,10H2,1-3H3.
What are the key properties of [4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
[4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 348.47 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(imidazol-1-ylmethyl)piperidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 72842525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).