[(2R)-2-methylpiperazin-1-yl]-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone

C16H19N3O2S — CID 166261382

IUPAC[(2R)-2-methylpiperazin-1-yl]-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone
SMILESC[C@@H]1CNCCN1C(=O)c1csc(COc2ccccc2)n1
InChIInChI=1S/C16H19N3O2S/c1-12-9-17-7-8-19(12)16(20)14-11-22-15(18-14)10-21-13-5-3-2-4-6-13/h2-6,11-12,17H,7-10H2,1H3/t12-/m1/s1
InChIKeyLFNGNGONJSSCOG-GFCCVEGCSA-N
MW317.41 g/mol
LogP2.16
Rot. Bonds4

About [(2R)-2-methylpiperazin-1-yl]-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone

[(2R)-2-methylpiperazin-1-yl]-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone (PubChem CID 166261382) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is [(2R)-2-methylpiperazin-1-yl]-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-methylpiperazin-1-yl]-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone
PubChem CID166261382
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name[(2R)-2-methylpiperazin-1-yl]-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone
SMILESC[C@@H]1CNCCN1C(=O)c1csc(COc2ccccc2)n1
InChIInChI=1S/C16H19N3O2S/c1-12-9-17-7-8-19(12)16(20)14-11-22-15(18-14)10-21-13-5-3-2-4-6-13/h2-6,11-12,17H,7-10H2,1H3/t12-/m1/s1
InChIKeyLFNGNGONJSSCOG-GFCCVEGCSA-N
XLogP2.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-methylpiperazin-1-yl]-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone with MolForge

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Related Compounds

(2-benzyl-1,3-thiazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120732761
morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone
CID 24712645
1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 2744803
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119470971
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119472822
[2-(3-fluorophenyl)piperazin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120737603
(2-methylpiperazin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71639489
(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 119470393
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 24672373
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391
N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 93158707
2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 82020434

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylpiperazin-1-yl]-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(2R)-2-methylpiperazin-1-yl]-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone (CID 166261382) is [(2R)-2-methylpiperazin-1-yl]-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(2R)-2-methylpiperazin-1-yl]-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(2R)-2-methylpiperazin-1-yl]-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone is C[C@@H]1CNCCN1C(=O)c1csc(COc2ccccc2)n1.
What is the InChIKey of [(2R)-2-methylpiperazin-1-yl]-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is LFNGNGONJSSCOG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-12-9-17-7-8-19(12)16(20)14-11-22-15(18-14)10-21-13-5-3-2-4-6-13/h2-6,11-12,17H,7-10H2,1H3/t12-/m1/s1.
What are the key properties of [(2R)-2-methylpiperazin-1-yl]-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone?
[(2R)-2-methylpiperazin-1-yl]-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 317.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methylpiperazin-1-yl]-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 166261382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).