(5-ethyl-4-methylthiophen-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

C17H23N3OS2 — CID 51308013

IUPAC(5-ethyl-4-methylthiophen-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCCc1sc(C(=O)N2CCN(Cc3csc(C)n3)CC2)cc1C
InChIInChI=1S/C17H23N3OS2/c1-4-15-12(2)9-16(23-15)17(21)20-7-5-19(6-8-20)10-14-11-22-13(3)18-14/h9,11H,4-8,10H2,1-3H3
InChIKeyLBKCYVWYDHIKAH-UHFFFAOYSA-N
MW349.53 g/mol
LogP3.34
Rot. Bonds4

About (5-ethyl-4-methylthiophen-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

(5-ethyl-4-methylthiophen-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 51308013) has the molecular formula C17H23N3OS2 and a molecular weight of 349.53 g/mol. Its IUPAC name is (5-ethyl-4-methylthiophen-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-4-methylthiophen-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID51308013
Molecular FormulaC17H23N3OS2
Molecular Weight349.53 g/mol
Exact Mass349.13
IUPAC Name(5-ethyl-4-methylthiophen-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCCc1sc(C(=O)N2CCN(Cc3csc(C)n3)CC2)cc1C
InChIInChI=1S/C17H23N3OS2/c1-4-15-12(2)9-16(23-15)17(21)20-7-5-19(6-8-20)10-14-11-22-13(3)18-14/h9,11H,4-8,10H2,1-3H3
InChIKeyLBKCYVWYDHIKAH-UHFFFAOYSA-N
XLogP3.34
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.53
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51308012
2,2,2-trifluoro-1-[5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone
CID 87353086
(3-methylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 38470610
1-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134057870
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 23881320
2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 61265442
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 38470437
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 55691388
2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 79805846
7-bicyclo[4.1.0]heptanyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 46972591
[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 47053063
2,3-dihydro-1H-inden-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 38470789

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methylthiophen-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-ethyl-4-methylthiophen-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (CID 51308013) is (5-ethyl-4-methylthiophen-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-4-methylthiophen-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-ethyl-4-methylthiophen-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is CCc1sc(C(=O)N2CCN(Cc3csc(C)n3)CC2)cc1C.
What is the InChIKey of (5-ethyl-4-methylthiophen-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is LBKCYVWYDHIKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS2/c1-4-15-12(2)9-16(23-15)17(21)20-7-5-19(6-8-20)10-14-11-22-13(3)18-14/h9,11H,4-8,10H2,1-3H3.
What are the key properties of (5-ethyl-4-methylthiophen-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
(5-ethyl-4-methylthiophen-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 349.53 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-methylthiophen-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 51308013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).