N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine

C13H23N3OS — CID 62462361

IUPACN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(Cc1csc(CN)n1)C(C)C1CC1
InChIInChI=1S/C13H23N3OS/c1-10(11-3-4-11)16(5-6-17-2)8-12-9-18-13(7-14)15-12/h9-11H,3-8,14H2,1-2H3
InChIKeyGSUGWEGRSKGIKB-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.85
Rot. Bonds8

About N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine

N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine (PubChem CID 62462361) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
PubChem CID62462361
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(Cc1csc(CN)n1)C(C)C1CC1
InChIInChI=1S/C13H23N3OS/c1-10(11-3-4-11)16(5-6-17-2)8-12-9-18-13(7-14)15-12/h9-11H,3-8,14H2,1-2H3
InChIKeyGSUGWEGRSKGIKB-UHFFFAOYSA-N
XLogP1.85
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 51086508
1-(4-cyclopropylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53584391
N-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 53607183
{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}(methyl)amine
CID 54595767
{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}(methyl)amine
CID 71755475
2-[[2-(Methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]ethanol
CID 75425341
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 77079650
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(2S)-4-cyclopropylmorpholin-2-yl]methanamine
CID 95613045
(3R)-3-cyclopropyl-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]morpholine
CID 164630336
N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine
CID 102929468
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine
CID 102929512
2,2,2-trifluoro-N-[[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 102929559

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine?
The IUPAC name of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine (CID 62462361) is N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine is COCCN(Cc1csc(CN)n1)C(C)C1CC1.
What is the InChIKey of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine?
The InChIKey is GSUGWEGRSKGIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-10(11-3-4-11)16(5-6-17-2)8-12-9-18-13(7-14)15-12/h9-11H,3-8,14H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine?
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine has a molecular weight of 269.41 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 62462361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).