2-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C20H22N6OS — CID 95836804

IUPAC2-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESNc1ncc(-c2ccccc2)c([C@@H]2CCCCN2CC(=O)Nc2nccs2)n1
InChIInChI=1S/C20H22N6OS/c21-19-23-12-15(14-6-2-1-3-7-14)18(25-19)16-8-4-5-10-26(16)13-17(27)24-20-22-9-11-28-20/h1-3,6-7,9,11-12,16H,4-5,8,10,13H2,(H2,21,23,25)(H,22,24,27)/t16-/m0/s1
InChIKeyRJFMQLYWOLIPIT-INIZCTEOSA-N
MW394.50 g/mol
LogP3.35
Rot. Bonds5

About 2-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 95836804) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID95836804
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC Name2-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESNc1ncc(-c2ccccc2)c([C@@H]2CCCCN2CC(=O)Nc2nccs2)n1
InChIInChI=1S/C20H22N6OS/c21-19-23-12-15(14-6-2-1-3-7-14)18(25-19)16-8-4-5-10-26(16)13-17(27)24-20-22-9-11-28-20/h1-3,6-7,9,11-12,16H,4-5,8,10,13H2,(H2,21,23,25)(H,22,24,27)/t16-/m0/s1
InChIKeyRJFMQLYWOLIPIT-INIZCTEOSA-N
XLogP3.35
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2S)-2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 95836792
1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110266748
1-[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95837037
2-[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]acetamide
CID 118740239
1-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 95836907
4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-5-phenylpyrimidin-2-amine
CID 110266744
1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110266816
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 47019585
1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 118634244
2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 136542577
methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate
CID 79833913
2-[(2S)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95817937

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 95836804) is 2-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is Nc1ncc(-c2ccccc2)c([C@@H]2CCCCN2CC(=O)Nc2nccs2)n1.
What is the InChIKey of 2-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RJFMQLYWOLIPIT-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N6OS/c21-19-23-12-15(14-6-2-1-3-7-14)18(25-19)16-8-4-5-10-26(16)13-17(27)24-20-22-9-11-28-20/h1-3,6-7,9,11-12,16H,4-5,8,10,13H2,(H2,21,23,25)(H,22,24,27)/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 394.50 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 95836804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).