5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

C10H17N3OS — CID 118980287

IUPAC5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCOCC1CCCN1Cc1cnc(N)s1
InChIInChI=1S/C10H17N3OS/c1-14-7-8-3-2-4-13(8)6-9-5-12-10(11)15-9/h5,8H,2-4,6-7H2,1H3,(H2,11,12)
InChIKeyYONFHEONBVXTRC-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.34
Rot. Bonds4

About 5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 118980287) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID118980287
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCOCC1CCCN1Cc1cnc(N)s1
InChIInChI=1S/C10H17N3OS/c1-14-7-8-3-2-4-13(8)6-9-5-12-10(11)15-9/h5,8H,2-4,6-7H2,1H3,(H2,11,12)
InChIKeyYONFHEONBVXTRC-UHFFFAOYSA-N
XLogP1.34
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-Methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
CID 120899397
5-[[2,2-Difluoroethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine
CID 120899725
1-[1-[(2-Amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol;hydrochloride
CID 120900272
1-[1-[(2-Amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-2,2,2-trifluoroethanol
CID 120900273
[1-[(2-Amino-1,3-thiazol-5-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
CID 120904932
Methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 79771551
Ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 79771838
5-[1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-1,3-thiazol-2-amine
CID 88927632
5-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-1,3-thiazol-2-amine
CID 88927672
[5-[[2-(Methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate
CID 118981144
5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 130364612
[5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl] carbamate
CID 130364618

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 118980287) is 5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is COCC1CCCN1Cc1cnc(N)s1.
What is the InChIKey of 5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is YONFHEONBVXTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-14-7-8-3-2-4-13(8)6-9-5-12-10(11)15-9/h5,8H,2-4,6-7H2,1H3,(H2,11,12).
What are the key properties of 5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 227.33 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118980287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).