N-[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C23H22FN5O2S2 — CID 24963404

IUPACN-[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc(C(=O)N2CCC[C@@H](NC(=O)c3c(C)nc4sccn34)C2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C23H22FN5O2S2/c1-13-19(29-10-11-32-23(29)25-13)21(30)27-17-4-3-9-28(12-17)22(31)18-20(33-14(2)26-18)15-5-7-16(24)8-6-15/h5-8,10-11,17H,3-4,9,12H2,1-2H3,(H,27,30)/t17-/m1/s1
InChIKeyXQTPHJSLHCXSOL-QGZVFWFLSA-N
MW483.59 g/mol
LogP4.31
Rot. Bonds4

About N-[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 24963404) has the molecular formula C23H22FN5O2S2 and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID24963404
Molecular FormulaC23H22FN5O2S2
Molecular Weight483.59 g/mol
Exact Mass483.12
IUPAC NameN-[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc(C(=O)N2CCC[C@@H](NC(=O)c3c(C)nc4sccn34)C2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C23H22FN5O2S2/c1-13-19(29-10-11-32-23(29)25-13)21(30)27-17-4-3-9-28(12-17)22(31)18-20(33-14(2)26-18)15-5-7-16(24)8-6-15/h5-8,10-11,17H,3-4,9,12H2,1-2H3,(H,27,30)/t17-/m1/s1
InChIKeyXQTPHJSLHCXSOL-QGZVFWFLSA-N
XLogP4.31
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 24963404) is N-[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc(C(=O)N2CCC[C@@H](NC(=O)c3c(C)nc4sccn34)C2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is XQTPHJSLHCXSOL-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H22FN5O2S2/c1-13-19(29-10-11-32-23(29)25-13)21(30)27-17-4-3-9-28(12-17)22(31)18-20(33-14(2)26-18)15-5-7-16(24)8-6-15/h5-8,10-11,17H,3-4,9,12H2,1-2H3,(H,27,30)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 24963404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).