[4-tert-butyl-2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol

C15H27N3OS — CID 63619362

IUPAC[4-tert-butyl-2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCCC1CN(c2nc(C(C)(C)C)c(CO)s2)CCN1C
InChIInChI=1S/C15H27N3OS/c1-6-11-9-18(8-7-17(11)5)14-16-13(15(2,3)4)12(10-19)20-14/h11,19H,6-10H2,1-5H3
InChIKeySTEXNBWZVYTMOV-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.46
Rot. Bonds3

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

[4-tert-butyl-2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 63619362) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is [4-tert-butyl-2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
PubChem CID63619362
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name[4-tert-butyl-2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCCC1CN(c2nc(C(C)(C)C)c(CO)s2)CCN1C
InChIInChI=1S/C15H27N3OS/c1-6-11-9-18(8-7-17(11)5)14-16-13(15(2,3)4)12(10-19)20-14/h11,19H,6-10H2,1-5H3
InChIKeySTEXNBWZVYTMOV-UHFFFAOYSA-N
XLogP2.46
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778341
[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62779308
[4-tert-butyl-2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanol
CID 63520638
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol
CID 79937237
[4-tert-butyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778480
[4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778656
[5-(3-ethyl-4-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]methanol
CID 167838202
N-[[2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 63619349
[2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 55215656
[4-tert-butyl-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol
CID 62780864
[4-tert-butyl-2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62932044
2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63619690

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol (CID 63619362) is [4-tert-butyl-2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol is CCC1CN(c2nc(C(C)(C)C)c(CO)s2)CCN1C.
What is the InChIKey of [4-tert-butyl-2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is STEXNBWZVYTMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-6-11-9-18(8-7-17(11)5)14-16-13(15(2,3)4)12(10-19)20-14/h11,19H,6-10H2,1-5H3.
What are the key properties of [4-tert-butyl-2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 297.47 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 63619362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).