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

C12H21N3OS — CID 107510564

IUPAC[2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(N2CC(C)C(C)C2)sc1CN
InChIInChI=1S/C12H21N3OS/c1-8-5-15(6-9(8)2)12-14-10(7-16-3)11(4-13)17-12/h8-9H,4-7,13H2,1-3H3
InChIKeyBWLOHHLGDYLZTE-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.84
Rot. Bonds4

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

[2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 107510564) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is [2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID107510564
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name[2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(N2CC(C)C(C)C2)sc1CN
InChIInChI=1S/C12H21N3OS/c1-8-5-15(6-9(8)2)12-14-10(7-16-3)11(4-13)17-12/h8-9H,4-7,13H2,1-3H3
InChIKeyBWLOHHLGDYLZTE-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 107510397
[4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine
CID 107510048
[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510269
2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509145
1-[2-(3,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107510754
[4-(methoxymethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 107510392
1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 107510640
[2-(2,6-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 62766514
N-[[2-(2,6-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510481
N-[[2-(3,5-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107509522
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 104961227
N-[[2-(3,5-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107509520

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (CID 107510564) is [2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is COCc1nc(N2CC(C)C(C)C2)sc1CN.
What is the InChIKey of [2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is BWLOHHLGDYLZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8-5-15(6-9(8)2)12-14-10(7-16-3)11(4-13)17-12/h8-9H,4-7,13H2,1-3H3.
What are the key properties of [2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
[2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 255.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 107510564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).