3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol

C14H24N2OS — CID 116887238

IUPAC3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol
SMILESCc1nc(C2CCN(C)C2)sc1C(CO)C(C)C
InChIInChI=1S/C14H24N2OS/c1-9(2)12(8-17)13-10(3)15-14(18-13)11-5-6-16(4)7-11/h9,11-12,17H,5-8H2,1-4H3
InChIKeyKXYQJGOYBBBUJS-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.60
Rot. Bonds4

About 3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol

3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol (PubChem CID 116887238) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol
PubChem CID116887238
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol
SMILESCc1nc(C2CCN(C)C2)sc1C(CO)C(C)C
InChIInChI=1S/C14H24N2OS/c1-9(2)12(8-17)13-10(3)15-14(18-13)11-5-6-16(4)7-11/h9,11-12,17H,5-8H2,1-4H3
InChIKeyKXYQJGOYBBBUJS-UHFFFAOYSA-N
XLogP2.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891384
1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884663
2-amino-2-[4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 116886675
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
2-[4-bromo-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol
CID 116852170
1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]cyclopropane-1-carbonitrile
CID 116886828
methyl 2-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]acetate
CID 116886348
1-[4-methyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-5-yl]ethanol
CID 65401161
4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carbaldehyde
CID 131297673
N-ethyl-1-[4-methyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 79089058
3-methyl-2-[2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]butan-1-amine
CID 116891409

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol?
The IUPAC name of 3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol (CID 116887238) is 3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol?
The canonical SMILES for 3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol is Cc1nc(C2CCN(C)C2)sc1C(CO)C(C)C.
What is the InChIKey of 3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol?
The InChIKey is KXYQJGOYBBBUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-9(2)12(8-17)13-10(3)15-14(18-13)11-5-6-16(4)7-11/h9,11-12,17H,5-8H2,1-4H3.
What are the key properties of 3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol?
3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol has a molecular weight of 268.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]butan-1-ol is sourced from PubChem (CID 116887238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).