1-[2-methyl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]phenyl]ethanone

C19H23N3O2S — CID 136538141

IUPAC1-[2-methyl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCN(C(C)c3nccs3)CC2)ccc1C
InChIInChI=1S/C19H23N3O2S/c1-13-4-5-16(12-17(13)15(3)23)19(24)22-9-7-21(8-10-22)14(2)18-20-6-11-25-18/h4-6,11-12,14H,7-10H2,1-3H3
InChIKeyAFTBTRLGDMPTOH-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.17
Rot. Bonds4

About 1-[2-methyl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]phenyl]ethanone

1-[2-methyl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]phenyl]ethanone (PubChem CID 136538141) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-[2-methyl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]phenyl]ethanone
PubChem CID136538141
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name1-[2-methyl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCN(C(C)c3nccs3)CC2)ccc1C
InChIInChI=1S/C19H23N3O2S/c1-13-4-5-16(12-17(13)15(3)23)19(24)22-9-7-21(8-10-22)14(2)18-20-6-11-25-18/h4-6,11-12,14H,7-10H2,1-3H3
InChIKeyAFTBTRLGDMPTOH-UHFFFAOYSA-N
XLogP3.17
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 126773535
(6-fluoroquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 126792102
4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 126776288
[5-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133476499
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]propanoic acid
CID 62317426
(3-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 29051874
(2S)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 124686905
pyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone
CID 75498371
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 143210996
1-[4-(3-acetyl-4-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 136538057
2-[1-[4-[(4-methyl-3-nitrophenyl)methyl]piperazin-1-yl]ethyl]-1,3-thiazole
CID 122143737
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349415

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]phenyl]ethanone?
The IUPAC name of 1-[2-methyl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]phenyl]ethanone (CID 136538141) is 1-[2-methyl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-methyl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]phenyl]ethanone?
The canonical SMILES for 1-[2-methyl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]phenyl]ethanone is CC(=O)c1cc(C(=O)N2CCN(C(C)c3nccs3)CC2)ccc1C.
What is the InChIKey of 1-[2-methyl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]phenyl]ethanone?
The InChIKey is AFTBTRLGDMPTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13-4-5-16(12-17(13)15(3)23)19(24)22-9-7-21(8-10-22)14(2)18-20-6-11-25-18/h4-6,11-12,14H,7-10H2,1-3H3.
What are the key properties of 1-[2-methyl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]phenyl]ethanone?
1-[2-methyl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]phenyl]ethanone has a molecular weight of 357.48 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]phenyl]ethanone is sourced from PubChem (CID 136538141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).