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

C12H16ClN3S2 — CID 120897652

IUPAC5-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESC=CCN(Cc1cccs1)Cc1cnc(N)s1.Cl
InChIInChI=1S/C12H15N3S2.ClH/c1-2-5-15(8-10-4-3-6-16-10)9-11-7-14-12(13)17-11;/h2-4,6-7H,1,5,8-9H2,(H2,13,14);1H
InChIKeyFEYGQEXEVUUJCJ-UHFFFAOYSA-N
MW301.87 g/mol
LogP3.40
Rot. Bonds6

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

5-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120897652) has the molecular formula C12H16ClN3S2 and a molecular weight of 301.87 g/mol. Its IUPAC name is 5-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120897652
Molecular FormulaC12H16ClN3S2
Molecular Weight301.87 g/mol
Exact Mass301.05
IUPAC Name5-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESC=CCN(Cc1cccs1)Cc1cnc(N)s1.Cl
InChIInChI=1S/C12H15N3S2.ClH/c1-2-5-15(8-10-4-3-6-16-10)9-11-7-14-12(13)17-11;/h2-4,6-7H,1,5,8-9H2,(H2,13,14);1H
InChIKeyFEYGQEXEVUUJCJ-UHFFFAOYSA-N
XLogP3.40
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.87
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-phenylethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899245
5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898756
2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol
CID 115669656
2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 120900523
N-carbamoyl-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propanamide
CID 134041904
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 78807506
5-[[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120905352
2-[(5-amino-2-pyridinyl)sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 43300968
5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901421
2-[(2-amino-1,3-thiazol-5-yl)methyl-[(3-fluorophenyl)methyl]amino]ethanol;hydrochloride
CID 120905497
5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900861
5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine
CID 120902910

Frequently Asked Questions

What is the IUPAC name of 5-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120897652) is 5-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is C=CCN(Cc1cccs1)Cc1cnc(N)s1.Cl.
What is the InChIKey of 5-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is FEYGQEXEVUUJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2.ClH/c1-2-5-15(8-10-4-3-6-16-10)9-11-7-14-12(13)17-11;/h2-4,6-7H,1,5,8-9H2,(H2,13,14);1H.
What are the key properties of 5-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 301.87 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120897652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).