5-[[2-phenylethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

C15H20ClN3S — CID 120899245

IUPAC5-[[2-phenylethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESC=CCN(CCc1ccccc1)Cc1cnc(N)s1.Cl
InChIInChI=1S/C15H19N3S.ClH/c1-2-9-18(12-14-11-17-15(16)19-14)10-8-13-6-4-3-5-7-13;/h2-7,11H,1,8-10,12H2,(H2,16,17);1H
InChIKeyVVQNKQZIIISMGF-UHFFFAOYSA-N
MW309.87 g/mol
LogP3.38
Rot. Bonds7

About 5-[[2-phenylethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[2-phenylethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120899245) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is 5-[[2-phenylethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[2-phenylethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120899245
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name5-[[2-phenylethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESC=CCN(CCc1ccccc1)Cc1cnc(N)s1.Cl
InChIInChI=1S/C15H19N3S.ClH/c1-2-9-18(12-14-11-17-15(16)19-14)10-8-13-6-4-3-5-7-13;/h2-7,11H,1,8-10,12H2,(H2,16,17);1H
InChIKeyVVQNKQZIIISMGF-UHFFFAOYSA-N
XLogP3.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897652
5-[[2-(3-fluorophenyl)ethyl-propylamino]methyl]-1,3-thiazol-2-amine
CID 120900579
5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898756
5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 79772479
N'-(2-phenylethyl)-N'-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120912735
N-ethyl-2-[[2-phenylethyl(prop-2-enyl)amino]methyl]pyridin-4-amine
CID 71908815
5-[[benzyl(butan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 120897590
N'-(2-phenylethyl)-N'-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 120912532
5-(3-phenylpropoxymethyl)-1,3-thiazol-2-amine
CID 79774216
5-[[methyl-[2-(3-nitrophenyl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120905813
N-oxido-N-(2-phenylethyl)prop-2-en-1-amine
CID 87692566
5-[(prop-2-enylamino)methyl]-1,3-thiazol-2-amine
CID 131206977

Frequently Asked Questions

What is the IUPAC name of 5-[[2-phenylethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[2-phenylethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120899245) is 5-[[2-phenylethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[2-phenylethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[2-phenylethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is C=CCN(CCc1ccccc1)Cc1cnc(N)s1.Cl.
What is the InChIKey of 5-[[2-phenylethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is VVQNKQZIIISMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S.ClH/c1-2-9-18(12-14-11-17-15(16)19-14)10-8-13-6-4-3-5-7-13;/h2-7,11H,1,8-10,12H2,(H2,16,17);1H.
What are the key properties of 5-[[2-phenylethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[2-phenylethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 309.87 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-phenylethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120899245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).