5-(2-methoxyphenyl)-4-[2-[(2R)-piperidin-2-yl]acetyl]-1,3-thiazole-2-carboxamide

C18H21N3O3S — CID 173146496

IUPAC5-(2-methoxyphenyl)-4-[2-[(2R)-piperidin-2-yl]acetyl]-1,3-thiazole-2-carboxamide
SMILESCOc1ccccc1-c1sc(C(N)=O)nc1C(=O)C[C@H]1CCCCN1
InChIInChI=1S/C18H21N3O3S/c1-24-14-8-3-2-7-12(14)16-15(21-18(25-16)17(19)23)13(22)10-11-6-4-5-9-20-11/h2-3,7-8,11,20H,4-6,9-10H2,1H3,(H2,19,23)/t11-/m1/s1
InChIKeyXLQQFRAINTWLGV-LLVKDONJSA-N
MW359.45 g/mol
LogP2.63
Rot. Bonds6

About 5-(2-methoxyphenyl)-4-[2-[(2R)-piperidin-2-yl]acetyl]-1,3-thiazole-2-carboxamide

5-(2-methoxyphenyl)-4-[2-[(2R)-piperidin-2-yl]acetyl]-1,3-thiazole-2-carboxamide (PubChem CID 173146496) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-4-[2-[(2R)-piperidin-2-yl]acetyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-4-[2-[(2R)-piperidin-2-yl]acetyl]-1,3-thiazole-2-carboxamide
PubChem CID173146496
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name5-(2-methoxyphenyl)-4-[2-[(2R)-piperidin-2-yl]acetyl]-1,3-thiazole-2-carboxamide
SMILESCOc1ccccc1-c1sc(C(N)=O)nc1C(=O)C[C@H]1CCCCN1
InChIInChI=1S/C18H21N3O3S/c1-24-14-8-3-2-7-12(14)16-15(21-18(25-16)17(19)23)13(22)10-11-6-4-5-9-20-11/h2-3,7-8,11,20H,4-6,9-10H2,1H3,(H2,19,23)/t11-/m1/s1
InChIKeyXLQQFRAINTWLGV-LLVKDONJSA-N
XLogP2.63
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-4-[2-[(2R)-piperidin-2-yl]acetyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-4-[2-[(2R)-piperidin-2-yl]acetyl]-1,3-thiazole-2-carboxamide (CID 173146496) is 5-(2-methoxyphenyl)-4-[2-[(2R)-piperidin-2-yl]acetyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-4-[2-[(2R)-piperidin-2-yl]acetyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-4-[2-[(2R)-piperidin-2-yl]acetyl]-1,3-thiazole-2-carboxamide is COc1ccccc1-c1sc(C(N)=O)nc1C(=O)C[C@H]1CCCCN1.
What is the InChIKey of 5-(2-methoxyphenyl)-4-[2-[(2R)-piperidin-2-yl]acetyl]-1,3-thiazole-2-carboxamide?
The InChIKey is XLQQFRAINTWLGV-LLVKDONJSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-24-14-8-3-2-7-12(14)16-15(21-18(25-16)17(19)23)13(22)10-11-6-4-5-9-20-11/h2-3,7-8,11,20H,4-6,9-10H2,1H3,(H2,19,23)/t11-/m1/s1.
What are the key properties of 5-(2-methoxyphenyl)-4-[2-[(2R)-piperidin-2-yl]acetyl]-1,3-thiazole-2-carboxamide?
5-(2-methoxyphenyl)-4-[2-[(2R)-piperidin-2-yl]acetyl]-1,3-thiazole-2-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-4-[2-[(2R)-piperidin-2-yl]acetyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 173146496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).