2-[4-bromo-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol

C10H15BrN2OS — CID 116852170

IUPAC2-[4-bromo-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol
SMILESCN1CCC(c2nc(Br)c(CCO)s2)C1
InChIInChI=1S/C10H15BrN2OS/c1-13-4-2-7(6-13)10-12-9(11)8(15-10)3-5-14/h7,14H,2-6H2,1H3
InChIKeyYPRQNPNQQJPWQZ-UHFFFAOYSA-N
MW291.21 g/mol
LogP1.86
Rot. Bonds3

About 2-[4-bromo-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol

2-[4-bromo-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol (PubChem CID 116852170) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 2-[4-bromo-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[4-bromo-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol
PubChem CID116852170
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name2-[4-bromo-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol
SMILESCN1CCC(c2nc(Br)c(CCO)s2)C1
InChIInChI=1S/C10H15BrN2OS/c1-13-4-2-7(6-13)10-12-9(11)8(15-10)3-5-14/h7,14H,2-6H2,1H3
InChIKeyYPRQNPNQQJPWQZ-UHFFFAOYSA-N
XLogP1.86
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884663
3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol
CID 116887238
2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol
CID 84778677
methyl 2-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]acetate
CID 116886348
3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 116884746
2-[3-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-5-yl]ethanol
CID 124641799
2-(4-bromo-2-tert-butyl-1,3-thiazol-5-yl)ethanol
CID 116852136
1-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884662
3-methyl-3-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-amine
CID 116884905
3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891384
[1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]cyclobutyl]methanol
CID 116891068
2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 115089869

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[4-bromo-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol (CID 116852170) is 2-[4-bromo-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[4-bromo-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[4-bromo-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol is CN1CCC(c2nc(Br)c(CCO)s2)C1.
What is the InChIKey of 2-[4-bromo-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is YPRQNPNQQJPWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-13-4-2-7(6-13)10-12-9(11)8(15-10)3-5-14/h7,14H,2-6H2,1H3.
What are the key properties of 2-[4-bromo-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol?
2-[4-bromo-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 291.21 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 116852170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).