2-(methylamino)-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1,3-thiazole-5-carboxamide

C17H22N4O2S — CID 97329336

IUPAC2-(methylamino)-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1,3-thiazole-5-carboxamide
SMILESCNc1ncc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)s1
InChIInChI=1S/C17H22N4O2S/c1-18-17-20-12-15(24-17)16(22)19-11-14(13-5-3-2-4-6-13)21-7-9-23-10-8-21/h2-6,12,14H,7-11H2,1H3,(H,18,20)(H,19,22)/t14-/m0/s1
InChIKeyUJQXZBOUFPOYDN-AWEZNQCLSA-N
MW346.46 g/mol
LogP1.99
Rot. Bonds6

About 2-(methylamino)-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1,3-thiazole-5-carboxamide

2-(methylamino)-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1,3-thiazole-5-carboxamide (PubChem CID 97329336) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-(methylamino)-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1,3-thiazole-5-carboxamide
PubChem CID97329336
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-(methylamino)-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1,3-thiazole-5-carboxamide
SMILESCNc1ncc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)s1
InChIInChI=1S/C17H22N4O2S/c1-18-17-20-12-15(24-17)16(22)19-11-14(13-5-3-2-4-6-13)21-7-9-23-10-8-21/h2-6,12,14H,7-11H2,1H3,(H,18,20)(H,19,22)/t14-/m0/s1
InChIKeyUJQXZBOUFPOYDN-AWEZNQCLSA-N
XLogP1.99
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]thiadiazole-5-carboxamide
CID 39730184
3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)thiophene-2-carboxamide
CID 43057560
N'-[6-(methylamino)-3-pyridinyl]-N-(2-morpholin-4-yl-2-phenylethyl)oxamide
CID 166237380
2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide
CID 91197833
2-(methoxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,3-thiazole-5-carboxamide
CID 138997085
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 30605183
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 16931706
1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea
CID 51934988
5-chloro-N-(2-morpholin-4-yl-2-phenylethyl)furan-2-carboxamide
CID 86922955
5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 94332656
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide
CID 86978865

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(methylamino)-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1,3-thiazole-5-carboxamide (CID 97329336) is 2-(methylamino)-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(methylamino)-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1,3-thiazole-5-carboxamide is CNc1ncc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)s1.
What is the InChIKey of 2-(methylamino)-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UJQXZBOUFPOYDN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-18-17-20-12-15(24-17)16(22)19-11-14(13-5-3-2-4-6-13)21-7-9-23-10-8-21/h2-6,12,14H,7-11H2,1H3,(H,18,20)(H,19,22)/t14-/m0/s1.
What are the key properties of 2-(methylamino)-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1,3-thiazole-5-carboxamide?
2-(methylamino)-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97329336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).