2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide

C21H22N4O2S — CID 95089018

IUPAC2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1csc(-c2ccnc(N3CCOCC3)c2)n1)c1ccccc1
InChIInChI=1S/C21H22N4O2S/c1-15(16-5-3-2-4-6-16)23-20(26)18-14-28-21(24-18)17-7-8-22-19(13-17)25-9-11-27-12-10-25/h2-8,13-15H,9-12H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyRDWAPDXLBQWERE-OAHLLOKOSA-N
MW394.50 g/mol
LogP3.53
Rot. Bonds5

About 2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide

2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide (PubChem CID 95089018) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide
PubChem CID95089018
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1csc(-c2ccnc(N3CCOCC3)c2)n1)c1ccccc1
InChIInChI=1S/C21H22N4O2S/c1-15(16-5-3-2-4-6-16)23-20(26)18-14-28-21(24-18)17-7-8-22-19(13-17)25-9-11-27-12-10-25/h2-8,13-15H,9-12H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyRDWAPDXLBQWERE-OAHLLOKOSA-N
XLogP3.53
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(2-morpholin-4-yl-4-pyridinyl)-N-[(2R)-4-phenylbutan-2-yl]-1,3-thiazole-4-carboxamide
CID 95089020
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 95089021
6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide
CID 124749178
N-butyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119268
N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119200
N-(4-fluorophenyl)-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119213
N-(2,4-dimethylphenyl)-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119227
2-(2-morpholin-4-yl-4-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53119289
N-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119274
N-[(1R)-1-phenylethyl]-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 95103431
N-[(2,4-dimethoxyphenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119281
2-(3-chlorophenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 55683273

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide (CID 95089018) is 2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide is C[C@@H](NC(=O)c1csc(-c2ccnc(N3CCOCC3)c2)n1)c1ccccc1.
What is the InChIKey of 2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is RDWAPDXLBQWERE-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-15(16-5-3-2-4-6-16)23-20(26)18-14-28-21(24-18)17-7-8-22-19(13-17)25-9-11-27-12-10-25/h2-8,13-15H,9-12H2,1H3,(H,23,26)/t15-/m1/s1.
What are the key properties of 2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide?
2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95089018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).