3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol

C13H22N2OS — CID 116891384

IUPAC3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol
SMILESCC(C)C(CO)c1csc(C2CCN(C)C2)n1
InChIInChI=1S/C13H22N2OS/c1-9(2)11(7-16)12-8-17-13(14-12)10-4-5-15(3)6-10/h8-11,16H,4-7H2,1-3H3
InChIKeyHYXHFUPEPRAEMC-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.29
Rot. Bonds4

About 3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol

3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol (PubChem CID 116891384) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol
PubChem CID116891384
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol
SMILESCC(C)C(CO)c1csc(C2CCN(C)C2)n1
InChIInChI=1S/C13H22N2OS/c1-9(2)11(7-16)12-8-17-13(14-12)10-4-5-15(3)6-10/h8-11,16H,4-7H2,1-3H3
InChIKeyHYXHFUPEPRAEMC-UHFFFAOYSA-N
XLogP2.29
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine
CID 116891409
3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol
CID 116887238
methyl 2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butanoate
CID 116891451
[1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]cyclobutyl]methanol
CID 116891068
3-amino-3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116890756
N,3-dimethyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967412
2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115087714
2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine
CID 116888539
3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol
CID 116891359
2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95777671
2-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol
CID 115088116
2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 116888678

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol?
The IUPAC name of 3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol (CID 116891384) is 3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol?
The canonical SMILES for 3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol is CC(C)C(CO)c1csc(C2CCN(C)C2)n1.
What is the InChIKey of 3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol?
The InChIKey is HYXHFUPEPRAEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9(2)11(7-16)12-8-17-13(14-12)10-4-5-15(3)6-10/h8-11,16H,4-7H2,1-3H3.
What are the key properties of 3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol?
3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol has a molecular weight of 254.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol is sourced from PubChem (CID 116891384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).