2-propan-2-yl-4-(pyrrolidin-2-ylmethoxymethyl)-1,3-thiazole

C12H20N2OS — CID 62333046

IUPAC2-propan-2-yl-4-(pyrrolidin-2-ylmethoxymethyl)-1,3-thiazole
SMILESCC(C)c1nc(COCC2CCCN2)cs1
InChIInChI=1S/C12H20N2OS/c1-9(2)12-14-11(8-16-12)7-15-6-10-4-3-5-13-10/h8-10,13H,3-7H2,1-2H3
InChIKeyIFVNIVQFZCPUDQ-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.54
Rot. Bonds5

About 2-propan-2-yl-4-(pyrrolidin-2-ylmethoxymethyl)-1,3-thiazole

2-propan-2-yl-4-(pyrrolidin-2-ylmethoxymethyl)-1,3-thiazole (PubChem CID 62333046) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-propan-2-yl-4-(pyrrolidin-2-ylmethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-propan-2-yl-4-(pyrrolidin-2-ylmethoxymethyl)-1,3-thiazole
PubChem CID62333046
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-propan-2-yl-4-(pyrrolidin-2-ylmethoxymethyl)-1,3-thiazole
SMILESCC(C)c1nc(COCC2CCCN2)cs1
InChIInChI=1S/C12H20N2OS/c1-9(2)12-14-11(8-16-12)7-15-6-10-4-3-5-13-10/h8-10,13H,3-7H2,1-2H3
InChIKeyIFVNIVQFZCPUDQ-UHFFFAOYSA-N
XLogP2.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-4-(pyrrolidin-3-ylmethoxymethyl)-1,3-thiazole
CID 62372289
2-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106617504
N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 106635856
2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 96858276
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119900153
4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride
CID 71637002
2-chloro-4-(piperidin-2-ylmethoxymethyl)pyrimidine
CID 71640519
2-chloro-4-[[(2S)-piperidin-2-yl]methoxymethyl]pyrimidine
CID 97163927
(2S)-2-(thiophen-2-ylmethoxymethyl)pyrrolidine
CID 102820124
2-methoxy-3-[[(2R)-pyrrolidin-2-yl]methoxymethyl]pyrazine
CID 97164864
(2R)-2-[2-(2-methylpropoxy)ethoxymethyl]pyrrolidine
CID 106447713
(2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine
CID 35753990

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(pyrrolidin-2-ylmethoxymethyl)-1,3-thiazole?
The IUPAC name of 2-propan-2-yl-4-(pyrrolidin-2-ylmethoxymethyl)-1,3-thiazole (CID 62333046) is 2-propan-2-yl-4-(pyrrolidin-2-ylmethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-propan-2-yl-4-(pyrrolidin-2-ylmethoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-propan-2-yl-4-(pyrrolidin-2-ylmethoxymethyl)-1,3-thiazole is CC(C)c1nc(COCC2CCCN2)cs1.
What is the InChIKey of 2-propan-2-yl-4-(pyrrolidin-2-ylmethoxymethyl)-1,3-thiazole?
The InChIKey is IFVNIVQFZCPUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(2)12-14-11(8-16-12)7-15-6-10-4-3-5-13-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-4-(pyrrolidin-2-ylmethoxymethyl)-1,3-thiazole?
2-propan-2-yl-4-(pyrrolidin-2-ylmethoxymethyl)-1,3-thiazole has a molecular weight of 240.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(pyrrolidin-2-ylmethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 62333046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).