[2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine

C12H21N3OS — CID 107510369

IUPAC[2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(N2CCCC2(C)C)sc1CN
InChIInChI=1S/C12H21N3OS/c1-12(2)5-4-6-15(12)11-14-9(8-16-3)10(7-13)17-11/h4-8,13H2,1-3H3
InChIKeyOYXIOBBFLSOELM-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.13
Rot. Bonds4

About [2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine

[2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 107510369) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is [2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID107510369
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name[2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(N2CCCC2(C)C)sc1CN
InChIInChI=1S/C12H21N3OS/c1-12(2)5-4-6-15(12)11-14-9(8-16-3)10(7-13)17-11/h4-8,13H2,1-3H3
InChIKeyOYXIOBBFLSOELM-UHFFFAOYSA-N
XLogP2.13
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510370
[4-(methoxymethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 107510392
[2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510564
[4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine
CID 107510048
[4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 107510397
[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510725
[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510269
N-[[2-(3,3-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510218
[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361700
N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63219194
[2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510701
[4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82441546

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (CID 107510369) is [2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is COCc1nc(N2CCCC2(C)C)sc1CN.
What is the InChIKey of [2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is OYXIOBBFLSOELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-12(2)5-4-6-15(12)11-14-9(8-16-3)10(7-13)17-11/h4-8,13H2,1-3H3.
What are the key properties of [2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
[2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 255.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 107510369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).