(1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol

C18H22N4OS2 — CID 45230799

IUPAC(1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol
SMILESCn1ccnc1C(O)C1CCN(Cc2csc(-c3cccs3)n2)CC1
InChIInChI=1S/C18H22N4OS2/c1-21-9-6-19-17(21)16(23)13-4-7-22(8-5-13)11-14-12-25-18(20-14)15-3-2-10-24-15/h2-3,6,9-10,12-13,16,23H,4-5,7-8,11H2,1H3
InChIKeyKFUMJBZFQKPSHS-UHFFFAOYSA-N
MW374.54 g/mol
LogP3.55
Rot. Bonds5

About (1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol

(1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol (PubChem CID 45230799) has the molecular formula C18H22N4OS2 and a molecular weight of 374.54 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol
PubChem CID45230799
Molecular FormulaC18H22N4OS2
Molecular Weight374.54 g/mol
Exact Mass374.12
IUPAC Name(1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol
SMILESCn1ccnc1C(O)C1CCN(Cc2csc(-c3cccs3)n2)CC1
InChIInChI=1S/C18H22N4OS2/c1-21-9-6-19-17(21)16(23)13-4-7-22(8-5-13)11-14-12-25-18(20-14)15-3-2-10-24-15/h2-3,6,9-10,12-13,16,23H,4-5,7-8,11H2,1H3
InChIKeyKFUMJBZFQKPSHS-UHFFFAOYSA-N
XLogP3.55
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.54
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 111113942
(S)-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97092049
6-[[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 99928460
(R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 124516622
(R)-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 95128111
[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 45236943
4-[(4-ethylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 171686496
[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 120900630
(1-methylimidazol-2-yl)-[1-[(1-propan-2-yltetrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 75390782
4-ethyl-2-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1H-pyrimidin-6-one
CID 136883234
N-pentyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 87013934
(S)-[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 124757025

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol (CID 45230799) is (1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol is Cn1ccnc1C(O)C1CCN(Cc2csc(-c3cccs3)n2)CC1.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is KFUMJBZFQKPSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS2/c1-21-9-6-19-17(21)16(23)13-4-7-22(8-5-13)11-14-12-25-18(20-14)15-3-2-10-24-15/h2-3,6,9-10,12-13,16,23H,4-5,7-8,11H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol?
(1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 374.54 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 45230799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).