4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole

C10H17N3S — CID 94905443

IUPAC4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole
SMILESCCc1csc(N2CCN[C@@H](C)C2)n1
InChIInChI=1S/C10H17N3S/c1-3-9-7-14-10(12-9)13-5-4-11-8(2)6-13/h7-8,11H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyBMRFQFJSSIJTRH-QMMMGPOBSA-N
MW211.33 g/mol
LogP1.50
Rot. Bonds2

About 4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole

4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole (PubChem CID 94905443) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole
PubChem CID94905443
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole
SMILESCCc1csc(N2CCN[C@@H](C)C2)n1
InChIInChI=1S/C10H17N3S/c1-3-9-7-14-10(12-9)13-5-4-11-8(2)6-13/h7-8,11H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyBMRFQFJSSIJTRH-QMMMGPOBSA-N
XLogP1.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole
CID 62480503
4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole
CID 70955040
4-ethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole
CID 62961567
N,N-diethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 154839168
2-(3-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole
CID 82673560
2-(3,6-dihydro-2H-pyridin-1-yl)-4-ethyl-1,3-thiazole
CID 130619317
2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802425
2-[3-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63392700
2-[3-(bromomethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 80673929
1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-4-yl]ethanamine
CID 63595044
2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63389754
carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole
CID 161487034

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole (CID 94905443) is 4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole is CCc1csc(N2CCN[C@@H](C)C2)n1.
What is the InChIKey of 4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole?
The InChIKey is BMRFQFJSSIJTRH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-9-7-14-10(12-9)13-5-4-11-8(2)6-13/h7-8,11H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of 4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole?
4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole has a molecular weight of 211.33 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 94905443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).