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

C12H20N2OS — CID 116865503

IUPAC2-methyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propan-1-ol
SMILESCN1CCC(c2csc(C(C)(C)CO)n2)C1
InChIInChI=1S/C12H20N2OS/c1-12(2,8-15)11-13-10(7-16-11)9-4-5-14(3)6-9/h7,9,15H,4-6,8H2,1-3H3
InChIKeyPKVHTALMFWNHRS-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.83
Rot. Bonds3

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

2-methyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propan-1-ol (PubChem CID 116865503) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-methyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propan-1-ol
PubChem CID116865503
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-methyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propan-1-ol
SMILESCN1CCC(c2csc(C(C)(C)CO)n2)C1
InChIInChI=1S/C12H20N2OS/c1-12(2,8-15)11-13-10(7-16-11)9-4-5-14(3)6-9/h7,9,15H,4-6,8H2,1-3H3
InChIKeyPKVHTALMFWNHRS-UHFFFAOYSA-N
XLogP1.83
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propan-1-ol?
The IUPAC name of 2-methyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propan-1-ol (CID 116865503) is 2-methyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propan-1-ol is CN1CCC(c2csc(C(C)(C)CO)n2)C1.
What is the InChIKey of 2-methyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propan-1-ol?
The InChIKey is PKVHTALMFWNHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-12(2,8-15)11-13-10(7-16-11)9-4-5-14(3)6-9/h7,9,15H,4-6,8H2,1-3H3.
What are the key properties of 2-methyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propan-1-ol?
2-methyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propan-1-ol is sourced from PubChem (CID 116865503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).