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

C18H28N4OS — CID 97092049

IUPAC(S)-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@@H](O)C1CCN(Cc2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C18H28N4OS/c1-18(2,3)14-12-24-15(20-14)11-22-8-5-13(6-9-22)16(23)17-19-7-10-21(17)4/h7,10,12-13,16,23H,5-6,8-9,11H2,1-4H3/t16-/m0/s1
InChIKeyJXFSRIKLUXITSL-INIZCTEOSA-N
MW348.52 g/mol
LogP3.12
Rot. Bonds4

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

(S)-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 97092049) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is (S)-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID97092049
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Name(S)-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@@H](O)C1CCN(Cc2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C18H28N4OS/c1-18(2,3)14-12-24-15(20-14)11-22-8-5-13(6-9-22)16(23)17-19-7-10-21(17)4/h7,10,12-13,16,23H,5-6,8-9,11H2,1-4H3/t16-/m0/s1
InChIKeyJXFSRIKLUXITSL-INIZCTEOSA-N
XLogP3.12
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol
CID 45230799
(R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 124516622
(R)-(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methanol
CID 99931995
methyl (2R)-2-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 97238863
[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 120900630
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpiperidin-4-amine
CID 119923466
6-[[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 99928460
(S)-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97159643
(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65393926
[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133494977
(R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 99639116
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384

Frequently Asked Questions

What is the IUPAC name of (S)-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (S)-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 97092049) is (S)-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (S)-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (S)-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1[C@@H](O)C1CCN(Cc2nc(C(C)(C)C)cs2)CC1.
What is the InChIKey of (S)-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is JXFSRIKLUXITSL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-18(2,3)14-12-24-15(20-14)11-22-8-5-13(6-9-22)16(23)17-19-7-10-21(17)4/h7,10,12-13,16,23H,5-6,8-9,11H2,1-4H3/t16-/m0/s1.
What are the key properties of (S)-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
(S)-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 348.52 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 97092049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).