[4-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol

C14H25N3OS — CID 82430799

IUPAC[4-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(CCN2CCN(CC)CC2)sc1CO
InChIInChI=1S/C14H25N3OS/c1-3-12-13(11-18)19-14(15-12)5-6-17-9-7-16(4-2)8-10-17/h18H,3-11H2,1-2H3
InChIKeyQSWPRIKNUNSWKO-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.38
Rot. Bonds6

About [4-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol

[4-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol (PubChem CID 82430799) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is [4-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
PubChem CID82430799
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name[4-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(CCN2CCN(CC)CC2)sc1CO
InChIInChI=1S/C14H25N3OS/c1-3-12-13(11-18)19-14(15-12)5-6-17-9-7-16(4-2)8-10-17/h18H,3-11H2,1-2H3
InChIKeyQSWPRIKNUNSWKO-UHFFFAOYSA-N
XLogP1.38
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-ethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430785
[4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
CID 82441695
N-[[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430831
2-[4-ethyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82430708
[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methanol
CID 82428335
[4-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
CID 82439572
N-[[4-ethyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82430699
N-[[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82430768
4-tert-butyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82439578
2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazole-5-carbothioamide
CID 82430835
[4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
CID 82441677
N-[[4-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82430617

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol (CID 82430799) is [4-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol is CCc1nc(CCN2CCN(CC)CC2)sc1CO.
What is the InChIKey of [4-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is QSWPRIKNUNSWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-3-12-13(11-18)19-14(15-12)5-6-17-9-7-16(4-2)8-10-17/h18H,3-11H2,1-2H3.
What are the key properties of [4-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol?
[4-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 283.44 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82430799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).