1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol;hydrochloride

C13H25ClN4OS — CID 120900140

IUPAC1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol;hydrochloride
SMILESCCC1CN(Cc2cnc(N)s2)CCN1CC(C)O.Cl
InChIInChI=1S/C13H24N4OS.ClH/c1-3-11-8-16(4-5-17(11)7-10(2)18)9-12-6-15-13(14)19-12;/h6,10-11,18H,3-5,7-9H2,1-2H3,(H2,14,15);1H
InChIKeyYTYYIDZUVMFRRO-UHFFFAOYSA-N
MW320.89 g/mol
LogP1.42
Rot. Bonds5

About 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol;hydrochloride

1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol;hydrochloride (PubChem CID 120900140) has the molecular formula C13H25ClN4OS and a molecular weight of 320.89 g/mol. Its IUPAC name is 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol;hydrochloride
PubChem CID120900140
Molecular FormulaC13H25ClN4OS
Molecular Weight320.89 g/mol
Exact Mass320.14
IUPAC Name1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol;hydrochloride
SMILESCCC1CN(Cc2cnc(N)s2)CCN1CC(C)O.Cl
InChIInChI=1S/C13H24N4OS.ClH/c1-3-11-8-16(4-5-17(11)7-10(2)18)9-12-6-15-13(14)19-12;/h6,10-11,18H,3-5,7-9H2,1-2H3,(H2,14,15);1H
InChIKeyYTYYIDZUVMFRRO-UHFFFAOYSA-N
XLogP1.42
TPSA65.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol;hydrochloride with MolForge

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Related Compounds

(2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95766588
5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 115883982
5-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79771446
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanol
CID 120904205
(2R)-1-[(2R)-4-[(5-chlorothiadiazol-4-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 95978192
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 120901218
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899926
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903499
5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901379
1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 56802986
(2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 95612257

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol;hydrochloride?
The IUPAC name of 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol;hydrochloride (CID 120900140) is 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol;hydrochloride is CCC1CN(Cc2cnc(N)s2)CCN1CC(C)O.Cl.
What is the InChIKey of 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol;hydrochloride?
The InChIKey is YTYYIDZUVMFRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS.ClH/c1-3-11-8-16(4-5-17(11)7-10(2)18)9-12-6-15-13(14)19-12;/h6,10-11,18H,3-5,7-9H2,1-2H3,(H2,14,15);1H.
What are the key properties of 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol;hydrochloride?
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol;hydrochloride has a molecular weight of 320.89 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 120900140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).