[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone

C18H26N4OS — CID 126832081

IUPAC[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCC(Cc2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C18H26N4OS/c1-18(2,3)15-11-24-16(20-15)9-13-5-7-22(8-6-13)17(23)14-10-19-12-21(14)4/h10-13H,5-9H2,1-4H3
InChIKeyFLUBBUVMLIZWOY-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.27
Rot. Bonds3

About [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone

[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 126832081) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID126832081
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCC(Cc2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C18H26N4OS/c1-18(2,3)15-11-24-16(20-15)9-13-5-7-22(8-6-13)17(23)14-10-19-12-21(14)4/h10-13H,5-9H2,1-4H3
InChIKeyFLUBBUVMLIZWOY-UHFFFAOYSA-N
XLogP3.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone with MolForge

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Related Compounds

US10858362, Example 78
CID 122652259
US10858362, Example 80
CID 122652330
(2-Cyclopropyl-1,3-thiazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 53617458
1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-(1-ethyl-1H-imidazol-2-yl)piperidine
CID 70769626
{1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-piperidinyl}(1-methyl-1H-imidazol-2-yl)methanone
CID 70772556
(2-methyl-1H-imidazol-5-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72122387
(2-methyl-1H-imidazol-5-yl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72122401
(2-methyl-1H-imidazol-5-yl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72122403
1H-imidazol-5-yl-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72124160
[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 72135778
[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 72135779
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 72148346

Frequently Asked Questions

What is the IUPAC name of [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone (CID 126832081) is [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)N1CCC(Cc2nc(C(C)(C)C)cs2)CC1.
What is the InChIKey of [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is FLUBBUVMLIZWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-18(2,3)15-11-24-16(20-15)9-13-5-7-22(8-6-13)17(23)14-10-19-12-21(14)4/h10-13H,5-9H2,1-4H3.
What are the key properties of [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 346.50 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 126832081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).