[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C16H25N5OS — CID 133494977

IUPAC[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCN(c2nc(C(C)(C)C)ns2)CC1
InChIInChI=1S/C16H25N5OS/c1-16(2,3)14-18-15(23-19-14)21-8-5-11(6-9-21)12(22)13-17-7-10-20(13)4/h7,10-12,22H,5-6,8-9H2,1-4H3
InChIKeyHORIKIBHKCANBR-UHFFFAOYSA-N
MW335.48 g/mol
LogP2.52
Rot. Bonds3

About [1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 133494977) has the molecular formula C16H25N5OS and a molecular weight of 335.48 g/mol. Its IUPAC name is [1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID133494977
Molecular FormulaC16H25N5OS
Molecular Weight335.48 g/mol
Exact Mass335.18
IUPAC Name[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCN(c2nc(C(C)(C)C)ns2)CC1
InChIInChI=1S/C16H25N5OS/c1-16(2,3)14-18-15(23-19-14)21-8-5-11(6-9-21)12(22)13-17-7-10-20(13)4/h7,10-12,22H,5-6,8-9H2,1-4H3
InChIKeyHORIKIBHKCANBR-UHFFFAOYSA-N
XLogP2.52
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133395761
(1-methylimidazol-2-yl)-[1-(4,5,6-trimethylpyrimidin-2-yl)piperidin-4-yl]methanol
CID 162635184
1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanol
CID 112627776
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
methyl 2-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-hydroxyacetate
CID 133495038
(S)-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97092049
(R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 124516622
[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384520
(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65393926
3-tert-butyl-5-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 133493693
[1-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133451403
(1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
CID 72853066

Frequently Asked Questions

What is the IUPAC name of [1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 133494977) is [1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)C1CCN(c2nc(C(C)(C)C)ns2)CC1.
What is the InChIKey of [1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is HORIKIBHKCANBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5OS/c1-16(2,3)14-18-15(23-19-14)21-8-5-11(6-9-21)12(22)13-17-7-10-20(13)4/h7,10-12,22H,5-6,8-9H2,1-4H3.
What are the key properties of [1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 335.48 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 133494977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).