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

C14H25N3S — CID 116969824

IUPAC4-ethyl-2-(3-methyl-3-piperazin-1-ylbutyl)-1,3-thiazole
SMILESCCc1csc(CCC(C)(C)N2CCNCC2)n1
InChIInChI=1S/C14H25N3S/c1-4-12-11-18-13(16-12)5-6-14(2,3)17-9-7-15-8-10-17/h11,15H,4-10H2,1-3H3
InChIKeyFRTYUISSKSNVDQ-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.32
Rot. Bonds5

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

4-ethyl-2-(3-methyl-3-piperazin-1-ylbutyl)-1,3-thiazole (PubChem CID 116969824) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-ethyl-2-(3-methyl-3-piperazin-1-ylbutyl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-(3-methyl-3-piperazin-1-ylbutyl)-1,3-thiazole
PubChem CID116969824
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name4-ethyl-2-(3-methyl-3-piperazin-1-ylbutyl)-1,3-thiazole
SMILESCCc1csc(CCC(C)(C)N2CCNCC2)n1
InChIInChI=1S/C14H25N3S/c1-4-12-11-18-13(16-12)5-6-14(2,3)17-9-7-15-8-10-17/h11,15H,4-10H2,1-3H3
InChIKeyFRTYUISSKSNVDQ-UHFFFAOYSA-N
XLogP2.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-2-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole
CID 116891607
2-(2-methoxyethyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065442
N-methyl-2-piperazin-1-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 63265394
4-ethyl-2-hexyl-1,3-thiazole
CID 55271529
1-[2-methyl-4-(1H-pyrrol-2-yl)butan-2-yl]piperazine
CID 116931984
1-(1,4-diazepan-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119415665
2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone
CID 62961566
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide
CID 103813479
4-ethyl-2-(2-ethylsulfanylethyl)-1,3-thiazole
CID 122463121
1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine
CID 95477555
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120907391
2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-4-propyl-1,3-thiazole;hydrochloride
CID 120841775

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-methyl-3-piperazin-1-ylbutyl)-1,3-thiazole?
The IUPAC name of 4-ethyl-2-(3-methyl-3-piperazin-1-ylbutyl)-1,3-thiazole (CID 116969824) is 4-ethyl-2-(3-methyl-3-piperazin-1-ylbutyl)-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-(3-methyl-3-piperazin-1-ylbutyl)-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-(3-methyl-3-piperazin-1-ylbutyl)-1,3-thiazole is CCc1csc(CCC(C)(C)N2CCNCC2)n1.
What is the InChIKey of 4-ethyl-2-(3-methyl-3-piperazin-1-ylbutyl)-1,3-thiazole?
The InChIKey is FRTYUISSKSNVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-12-11-18-13(16-12)5-6-14(2,3)17-9-7-15-8-10-17/h11,15H,4-10H2,1-3H3.
What are the key properties of 4-ethyl-2-(3-methyl-3-piperazin-1-ylbutyl)-1,3-thiazole?
4-ethyl-2-(3-methyl-3-piperazin-1-ylbutyl)-1,3-thiazole has a molecular weight of 267.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-methyl-3-piperazin-1-ylbutyl)-1,3-thiazole is sourced from PubChem (CID 116969824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).