N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide

C20H19N3O2S — CID 124566252

IUPACN-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C20H19N3O2S/c24-19(18-13-22-20(26-18)15-4-2-1-3-5-15)23-16-8-6-14(7-9-16)17-12-21-10-11-25-17/h1-9,13,17,21H,10-12H2,(H,23,24)/t17-/m1/s1
InChIKeyVNCZMBMKODMGRG-QGZVFWFLSA-N
MW365.46 g/mol
LogP3.72
Rot. Bonds4

About N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 124566252) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID124566252
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C20H19N3O2S/c24-19(18-13-22-20(26-18)15-4-2-1-3-5-15)23-16-8-6-14(7-9-16)17-12-21-10-11-25-17/h1-9,13,17,21H,10-12H2,(H,23,24)/t17-/m1/s1
InChIKeyVNCZMBMKODMGRG-QGZVFWFLSA-N
XLogP3.72
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 124566252) is N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is VNCZMBMKODMGRG-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-19(18-13-22-20(26-18)15-4-2-1-3-5-15)23-16-8-6-14(7-9-16)17-12-21-10-11-25-17/h1-9,13,17,21H,10-12H2,(H,23,24)/t17-/m1/s1.
What are the key properties of N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-morpholin-2-yl]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 124566252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).