5-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride

C12H22ClN3OS — CID 120900881

IUPAC5-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(CCC1CCOCC1)Cc1cnc(N)s1.Cl
InChIInChI=1S/C12H21N3OS.ClH/c1-15(9-11-8-14-12(13)17-11)5-2-10-3-6-16-7-4-10;/h8,10H,2-7,9H2,1H3,(H2,13,14);1H
InChIKeyURDOCSWOYZMPRJ-UHFFFAOYSA-N
MW291.85 g/mol
LogP2.40
Rot. Bonds5

About 5-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120900881) has the molecular formula C12H22ClN3OS and a molecular weight of 291.85 g/mol. Its IUPAC name is 5-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120900881
Molecular FormulaC12H22ClN3OS
Molecular Weight291.85 g/mol
Exact Mass291.12
IUPAC Name5-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(CCC1CCOCC1)Cc1cnc(N)s1.Cl
InChIInChI=1S/C12H21N3OS.ClH/c1-15(9-11-8-14-12(13)17-11)5-2-10-3-6-16-7-4-10;/h8,10H,2-7,9H2,1H3,(H2,13,14);1H
InChIKeyURDOCSWOYZMPRJ-UHFFFAOYSA-N
XLogP2.40
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.85
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120900881) is 5-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride is CN(CCC1CCOCC1)Cc1cnc(N)s1.Cl.
What is the InChIKey of 5-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is URDOCSWOYZMPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS.ClH/c1-15(9-11-8-14-12(13)17-11)5-2-10-3-6-16-7-4-10;/h8,10H,2-7,9H2,1H3,(H2,13,14);1H.
What are the key properties of 5-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 291.85 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120900881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).