(2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol

C15H24N4OS — CID 98767333

IUPAC(2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol
SMILESCC[C@H]1CN(Cc2cn3ccsc3n2)CCN1C[C@H](C)O
InChIInChI=1S/C15H24N4OS/c1-3-14-11-17(4-5-18(14)8-12(2)20)9-13-10-19-6-7-21-15(19)16-13/h6-7,10,12,14,20H,3-5,8-9,11H2,1-2H3/t12-,14-/m0/s1
InChIKeyZBDYIULWQKUVQL-JSGCOSHPSA-N
MW308.45 g/mol
LogP1.67
Rot. Bonds5

About (2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol

(2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol (PubChem CID 98767333) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol
PubChem CID98767333
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name(2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol
SMILESCC[C@H]1CN(Cc2cn3ccsc3n2)CCN1C[C@H](C)O
InChIInChI=1S/C15H24N4OS/c1-3-14-11-17(4-5-18(14)8-12(2)20)9-13-10-19-6-7-21-15(19)16-13/h6-7,10,12,14,20H,3-5,8-9,11H2,1-2H3/t12-,14-/m0/s1
InChIKeyZBDYIULWQKUVQL-JSGCOSHPSA-N
XLogP1.67
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95978180
1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 154747941
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758818
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 95750560
6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 104975458
6-[(2-ethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113288915
(2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 98767261
6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115332588
2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 115334182
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 71878633
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol;hydrochloride
CID 120900140

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol (CID 98767333) is (2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol is CC[C@H]1CN(Cc2cn3ccsc3n2)CCN1C[C@H](C)O.
What is the InChIKey of (2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is ZBDYIULWQKUVQL-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-3-14-11-17(4-5-18(14)8-12(2)20)9-13-10-19-6-7-21-15(19)16-13/h6-7,10,12,14,20H,3-5,8-9,11H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol?
(2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 308.45 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 98767333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).