4-[4-[(2R)-piperidin-2-yl]-1,3-thiazol-2-yl]benzamide

C15H17N3OS — CID 67358308

IUPAC4-[4-[(2R)-piperidin-2-yl]-1,3-thiazol-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc([C@H]3CCCCN3)cs2)cc1
InChIInChI=1S/C15H17N3OS/c16-14(19)10-4-6-11(7-5-10)15-18-13(9-20-15)12-3-1-2-8-17-12/h4-7,9,12,17H,1-3,8H2,(H2,16,19)/t12-/m1/s1
InChIKeyYDNFEUOEUVVGCF-GFCCVEGCSA-N
MW287.39 g/mol
LogP2.72
Rot. Bonds3

About 4-[4-[(2R)-piperidin-2-yl]-1,3-thiazol-2-yl]benzamide

4-[4-[(2R)-piperidin-2-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 67358308) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-[4-[(2R)-piperidin-2-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[4-[(2R)-piperidin-2-yl]-1,3-thiazol-2-yl]benzamide
PubChem CID67358308
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name4-[4-[(2R)-piperidin-2-yl]-1,3-thiazol-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc([C@H]3CCCCN3)cs2)cc1
InChIInChI=1S/C15H17N3OS/c16-14(19)10-4-6-11(7-5-10)15-18-13(9-20-15)12-3-1-2-8-17-12/h4-7,9,12,17H,1-3,8H2,(H2,16,19)/t12-/m1/s1
InChIKeyYDNFEUOEUVVGCF-GFCCVEGCSA-N
XLogP2.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole
CID 104853421
2-(furan-3-yl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853434
2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456862
2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 106951192
2-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)guanidine
CID 154005365
4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide
CID 47364833
2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928821
4-fluoro-N-(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)benzamide
CID 132648757
[4-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-2-yl]methanol
CID 104853412
2-(1-methylpyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928825
4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 111334097
3-[(2S)-piperidin-2-yl]benzamide;hydrochloride
CID 154574752

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-piperidin-2-yl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[4-[(2R)-piperidin-2-yl]-1,3-thiazol-2-yl]benzamide (CID 67358308) is 4-[4-[(2R)-piperidin-2-yl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[4-[(2R)-piperidin-2-yl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[4-[(2R)-piperidin-2-yl]-1,3-thiazol-2-yl]benzamide is NC(=O)c1ccc(-c2nc([C@H]3CCCCN3)cs2)cc1.
What is the InChIKey of 4-[4-[(2R)-piperidin-2-yl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is YDNFEUOEUVVGCF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3OS/c16-14(19)10-4-6-11(7-5-10)15-18-13(9-20-15)12-3-1-2-8-17-12/h4-7,9,12,17H,1-3,8H2,(H2,16,19)/t12-/m1/s1.
What are the key properties of 4-[4-[(2R)-piperidin-2-yl]-1,3-thiazol-2-yl]benzamide?
4-[4-[(2R)-piperidin-2-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 287.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2R)-piperidin-2-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 67358308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).