2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid

C16H18N4O3S — CID 119177890

IUPAC2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
SMILESCc1nc(-c2ncccn2)sc1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C16H18N4O3S/c1-10-13(24-15(19-10)14-17-5-2-6-18-14)16(23)20-7-3-11(4-8-20)9-12(21)22/h2,5-6,11H,3-4,7-9H2,1H3,(H,21,22)
InChIKeyRCZBKWIYXKFVQB-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.24
Rot. Bonds4

About 2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid

2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 119177890) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
PubChem CID119177890
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
SMILESCc1nc(-c2ncccn2)sc1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C16H18N4O3S/c1-10-13(24-15(19-10)14-17-5-2-6-18-14)16(23)20-7-3-11(4-8-20)9-12(21)22/h2,5-6,11H,3-4,7-9H2,1H3,(H,21,22)
InChIKeyRCZBKWIYXKFVQB-UHFFFAOYSA-N
XLogP2.24
TPSA96.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177854
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 119625359
2-[4-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 119247628
2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid
CID 119178283
(3S,4S)-4-methyl-1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952421
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 53031115
[(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 94637457
N-butyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53035385
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 55815330
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 55813581
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119539054

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid (CID 119177890) is 2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid is Cc1nc(-c2ncccn2)sc1C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is RCZBKWIYXKFVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-10-13(24-15(19-10)14-17-5-2-6-18-14)16(23)20-7-3-11(4-8-20)9-12(21)22/h2,5-6,11H,3-4,7-9H2,1H3,(H,21,22).
What are the key properties of 2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 346.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 119177890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).