4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole

C19H21FN4S — CID 99943600

IUPAC4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCn1ccnc1[C@@H]1CCCN(Cc2nc(-c3ccc(F)cc3)cs2)C1
InChIInChI=1S/C19H21FN4S/c1-23-10-8-21-19(23)15-3-2-9-24(11-15)12-18-22-17(13-25-18)14-4-6-16(20)7-5-14/h4-8,10,13,15H,2-3,9,11-12H2,1H3/t15-/m1/s1
InChIKeyOONTWIALAOURRV-OAHLLOKOSA-N
MW356.47 g/mol
LogP4.06
Rot. Bonds4

About 4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole

4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 99943600) has the molecular formula C19H21FN4S and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID99943600
Molecular FormulaC19H21FN4S
Molecular Weight356.47 g/mol
Exact Mass356.15
IUPAC Name4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCn1ccnc1[C@@H]1CCCN(Cc2nc(-c3ccc(F)cc3)cs2)C1
InChIInChI=1S/C19H21FN4S/c1-23-10-8-21-19(23)15-3-2-9-24(11-15)12-18-22-17(13-25-18)14-4-6-16(20)7-5-14/h4-8,10,13,15H,2-3,9,11-12H2,1H3/t15-/m1/s1
InChIKeyOONTWIALAOURRV-OAHLLOKOSA-N
XLogP4.06
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 99943600) is 4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole is Cn1ccnc1[C@@H]1CCCN(Cc2nc(-c3ccc(F)cc3)cs2)C1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is OONTWIALAOURRV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21FN4S/c1-23-10-8-21-19(23)15-3-2-9-24(11-15)12-18-22-17(13-25-18)14-4-6-16(20)7-5-14/h4-8,10,13,15H,2-3,9,11-12H2,1H3/t15-/m1/s1.
What are the key properties of 4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 356.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 99943600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).