4-ethyl-2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole

C11H19N3S — CID 82509839

IUPAC4-ethyl-2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESCCc1nc(C)sc1CN1CCNCC1
InChIInChI=1S/C11H19N3S/c1-3-10-11(15-9(2)13-10)8-14-6-4-12-5-7-14/h12H,3-8H2,1-2H3
InChIKeyCRTXRQSIPZWRIL-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.42
Rot. Bonds3

About 4-ethyl-2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole

4-ethyl-2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole (PubChem CID 82509839) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
PubChem CID82509839
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name4-ethyl-2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESCCc1nc(C)sc1CN1CCNCC1
InChIInChI=1S/C11H19N3S/c1-3-10-11(15-9(2)13-10)8-14-6-4-12-5-7-14/h12H,3-8H2,1-2H3
InChIKeyCRTXRQSIPZWRIL-UHFFFAOYSA-N
XLogP1.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95725653
2-[2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetic acid
CID 82069285
4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 62487816
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
5,6-dimethyl-3-(piperazin-1-ylmethyl)-1,2,4-triazine
CID 82470457
4-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine
CID 70786625
5-(piperazin-1-ylmethyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 82069176
2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazol-4-yl]acetic acid
CID 82069216
(3S,4S)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72931416
5-ethyl-2-methyl-4-propyl-1,3-thiazole
CID 588155
[(3R)-1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97131667
5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
CID 154829009

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-ethyl-2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole (CID 82509839) is 4-ethyl-2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole is CCc1nc(C)sc1CN1CCNCC1.
What is the InChIKey of 4-ethyl-2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole?
The InChIKey is CRTXRQSIPZWRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-10-11(15-9(2)13-10)8-14-6-4-12-5-7-14/h12H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole?
4-ethyl-2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole has a molecular weight of 225.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 82509839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).