[(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone

C16H19N3O2S — CID 124973894

IUPAC[(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESCOc1ccccc1[C@H]1CN(C(=O)c2cncs2)CCN1C
InChIInChI=1S/C16H19N3O2S/c1-18-7-8-19(16(20)15-9-17-11-22-15)10-13(18)12-5-3-4-6-14(12)21-2/h3-6,9,11,13H,7-8,10H2,1-2H3/t13-/m1/s1
InChIKeyKNBOQKJIKRZZRU-CYBMUJFWSA-N
MW317.41 g/mol
LogP2.28
Rot. Bonds3

About [(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone

[(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 124973894) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is [(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID124973894
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name[(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESCOc1ccccc1[C@H]1CN(C(=O)c2cncs2)CCN1C
InChIInChI=1S/C16H19N3O2S/c1-18-7-8-19(16(20)15-9-17-11-22-15)10-13(18)12-5-3-4-6-14(12)21-2/h3-6,9,11,13H,7-8,10H2,1-2H3/t13-/m1/s1
InChIKeyKNBOQKJIKRZZRU-CYBMUJFWSA-N
XLogP2.28
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124992452
[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110109648
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
(3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293154
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 110293165
(5-ethyl-1,2-oxazol-3-yl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110109659
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 110293139
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
CID 110109673
1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 125020144

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone (CID 124973894) is [(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone is COc1ccccc1[C@H]1CN(C(=O)c2cncs2)CCN1C.
What is the InChIKey of [(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is KNBOQKJIKRZZRU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-18-7-8-19(16(20)15-9-17-11-22-15)10-13(18)12-5-3-4-6-14(12)21-2/h3-6,9,11,13H,7-8,10H2,1-2H3/t13-/m1/s1.
What are the key properties of [(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone?
[(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 317.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 124973894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).