4-ethyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole

C12H21N3S — CID 71861131

IUPAC4-ethyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
SMILESCCc1csc(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C12H21N3S/c1-4-11-9-16-12(13-11)15-7-5-14(6-8-15)10(2)3/h9-10H,4-8H2,1-3H3
InChIKeyBGSQKMVIIDIMSN-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.24
Rot. Bonds3

About 4-ethyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole

4-ethyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole (PubChem CID 71861131) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4-ethyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
PubChem CID71861131
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4-ethyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
SMILESCCc1csc(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C12H21N3S/c1-4-11-9-16-12(13-11)15-7-5-14(6-8-15)10(2)3/h9-10H,4-8H2,1-3H3
InChIKeyBGSQKMVIIDIMSN-UHFFFAOYSA-N
XLogP2.24
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9568130
2-Methyl-1-(4-methyl-1,3-thiazol-2-yl)piperazine
CID 54592591
N,N,4-triethyl-1,3-thiazol-2-amine
CID 12787020
4-tert-Butyl-N,N-dimethyl-1,3-thiazol-2-amine
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2-Isopropylamino-4-ethylthiazole
CID 58336980
4-(4-Ethyl-1,3-thiazol-2-yl)morpholine
CID 115645122
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CID 2308583

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4-ethyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole (CID 71861131) is 4-ethyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole is CCc1csc(N2CCN(C(C)C)CC2)n1.
What is the InChIKey of 4-ethyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is BGSQKMVIIDIMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-11-9-16-12(13-11)15-7-5-14(6-8-15)10(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-ethyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole?
4-ethyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 239.39 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 71861131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).